N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine

C15H32N2O — CID 62392512

IUPACN-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
SMILESCCCCN(C)CC1(CNC(C)C)CCOCC1
InChIInChI=1S/C15H32N2O/c1-5-6-9-17(4)13-15(12-16-14(2)3)7-10-18-11-8-15/h14,16H,5-13H2,1-4H3
InChIKeyGDPXTCWRFRPANO-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds8

About N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine

N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine (PubChem CID 62392512) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
PubChem CID62392512
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
SMILESCCCCN(C)CC1(CNC(C)C)CCOCC1
InChIInChI=1S/C15H32N2O/c1-5-6-9-17(4)13-15(12-16-14(2)3)7-10-18-11-8-15/h14,16H,5-13H2,1-4H3
InChIKeyGDPXTCWRFRPANO-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]butan-1-amine
CID 62262652
3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 63009367
N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
CID 62391874
N-ethyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391813
N-[(4-nonyloxan-4-yl)methyl]propan-2-amine
CID 63502493
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine
CID 55226596
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
CID 62263966
2-[methyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62255840
N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392347
2-methyl-N-[[4-[[methyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066573
N-[(4-ethyloxan-4-yl)methyl]propan-2-amine
CID 62905554
[4-[[methyl(pentyl)amino]methyl]oxan-4-yl]methanol
CID 62391542

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine?
The IUPAC name of N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine (CID 62392512) is N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine is CCCCN(C)CC1(CNC(C)C)CCOCC1.
What is the InChIKey of N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine?
The InChIKey is GDPXTCWRFRPANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-6-9-17(4)13-15(12-16-14(2)3)7-10-18-11-8-15/h14,16H,5-13H2,1-4H3.
What are the key properties of N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine?
N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 62392512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).