N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine

C16H35N3O — CID 63699661

IUPACN,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine
SMILESCC(C)CNCC1(CN(C)CCCN(C)C)CCOC1
InChIInChI=1S/C16H35N3O/c1-15(2)11-17-12-16(7-10-20-14-16)13-19(5)9-6-8-18(3)4/h15,17H,6-14H2,1-5H3
InChIKeyRVYUFJUPWZPHBQ-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.52
Rot. Bonds10

About N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine (PubChem CID 63699661) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine
PubChem CID63699661
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC NameN,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine
SMILESCC(C)CNCC1(CN(C)CCCN(C)C)CCOC1
InChIInChI=1S/C16H35N3O/c1-15(2)11-17-12-16(7-10-20-14-16)13-19(5)9-6-8-18(3)4/h15,17H,6-14H2,1-5H3
InChIKeyRVYUFJUPWZPHBQ-UHFFFAOYSA-N
XLogP1.52
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-[[methyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066573
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine
CID 55226596
N,4-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]cyclohexan-1-amine
CID 62258684
N'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62257267
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 55140311
2-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl-pentan-3-ylamino]ethanol
CID 62258789
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62256273
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62260391
4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline
CID 62260426
2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62255910
N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62258121
2-[methyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62255840

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine (CID 63699661) is N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine is CC(C)CNCC1(CN(C)CCCN(C)C)CCOC1.
What is the InChIKey of N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine?
The InChIKey is RVYUFJUPWZPHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-15(2)11-17-12-16(7-10-20-14-16)13-19(5)9-6-8-18(3)4/h15,17H,6-14H2,1-5H3.
What are the key properties of N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine has a molecular weight of 285.48 g/mol, XLogP of 1.52, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 63699661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).