N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine

C16H34N2O — CID 63965868

IUPACN,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine
SMILESCCC(C)(C)N(C)CC1(CNC(C)C)CCCOC1
InChIInChI=1S/C16H34N2O/c1-7-15(4,5)18(6)12-16(11-17-14(2)3)9-8-10-19-13-16/h14,17H,7-13H2,1-6H3
InChIKeyGPRPMTDTNNFKOO-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds7

About N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine

N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine (PubChem CID 63965868) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine
PubChem CID63965868
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine
SMILESCCC(C)(C)N(C)CC1(CNC(C)C)CCCOC1
InChIInChI=1S/C16H34N2O/c1-7-15(4,5)18(6)12-16(11-17-14(2)3)9-8-10-19-13-16/h14,17H,7-13H2,1-6H3
InChIKeyGPRPMTDTNNFKOO-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine
CID 63967172
2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine
CID 103191393
N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 55242043
N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine
CID 63742061
N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine
CID 63739769
5-[methyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]pentan-1-ol
CID 107204713
N-[[3-[[ethyl(2-methoxyethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 55243988
N-[[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 82952450
N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]butan-2-amine
CID 63964071
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine
CID 55226596
N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]butan-2-amine
CID 63964541
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N,2-dimethylbutan-2-amine
CID 63964314

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine?
The IUPAC name of N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine (CID 63965868) is N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine.
What is the SMILES notation for N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine?
The canonical SMILES for N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine is CCC(C)(C)N(C)CC1(CNC(C)C)CCCOC1.
What is the InChIKey of N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine?
The InChIKey is GPRPMTDTNNFKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-7-15(4,5)18(6)12-16(11-17-14(2)3)9-8-10-19-13-16/h14,17H,7-13H2,1-6H3.
What are the key properties of N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine?
N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine is sourced from PubChem (CID 63965868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).