N,4-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]cyclohexan-1-amine

C18H36N2O — CID 62258684

IUPACN,4-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]cyclohexan-1-amine
SMILESCC(C)CNCC1(CN(C)C2CCC(C)CC2)CCOC1
InChIInChI=1S/C18H36N2O/c1-15(2)11-19-12-18(9-10-21-14-18)13-20(4)17-7-5-16(3)6-8-17/h15-17,19H,5-14H2,1-4H3
InChIKeyIHDYEVIWFZEUOM-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.15
Rot. Bonds7

About N,4-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]cyclohexan-1-amine

N,4-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]cyclohexan-1-amine (PubChem CID 62258684) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N,4-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]cyclohexan-1-amine
PubChem CID62258684
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN,4-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]cyclohexan-1-amine
SMILESCC(C)CNCC1(CN(C)C2CCC(C)CC2)CCOC1
InChIInChI=1S/C18H36N2O/c1-15(2)11-19-12-18(9-10-21-14-18)13-20(4)17-7-5-16(3)6-8-17/h15-17,19H,5-14H2,1-4H3
InChIKeyIHDYEVIWFZEUOM-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine
CID 63495608
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcyclopropanamine
CID 62262540
N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62262539
N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclohexanamine
CID 62263421
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62260391
N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 55242043
N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine
CID 63699661
N-methyl-N-[[3-(propylaminomethyl)oxan-3-yl]methyl]cyclopropanamine
CID 63741709
2-methyl-N-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63865057
4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline
CID 62260426
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62256273
N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cyclopropanamine
CID 63741708

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]cyclohexan-1-amine?
The IUPAC name of N,4-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]cyclohexan-1-amine (CID 62258684) is N,4-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,4-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for N,4-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]cyclohexan-1-amine is CC(C)CNCC1(CN(C)C2CCC(C)CC2)CCOC1.
What is the InChIKey of N,4-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]cyclohexan-1-amine?
The InChIKey is IHDYEVIWFZEUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-15(2)11-19-12-18(9-10-21-14-18)13-20(4)17-7-5-16(3)6-8-17/h15-17,19H,5-14H2,1-4H3.
What are the key properties of N,4-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]cyclohexan-1-amine?
N,4-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]cyclohexan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62258684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).