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

C16H32N2O — CID 62258238

IUPACN-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]oxan-4-amine
SMILESCC(C)NCC1(CN(C)C2CCOCC2)CCCC1
InChIInChI=1S/C16H32N2O/c1-14(2)17-12-16(8-4-5-9-16)13-18(3)15-6-10-19-11-7-15/h14-15,17H,4-13H2,1-3H3
InChIKeyFJTOFPMMERRJFB-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds6

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

N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]oxan-4-amine (PubChem CID 62258238) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]oxan-4-amine
PubChem CID62258238
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]oxan-4-amine
SMILESCC(C)NCC1(CN(C)C2CCOCC2)CCCC1
InChIInChI=1S/C16H32N2O/c1-14(2)17-12-16(8-4-5-9-16)13-18(3)15-6-10-19-11-7-15/h14-15,17H,4-13H2,1-3H3
InChIKeyFJTOFPMMERRJFB-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 55242043
N,4-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]cyclohexan-1-amine
CID 63495234
N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine
CID 62258237
N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine
CID 63493866
N-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-N-methyloxolan-3-amine
CID 82744183
N,2-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]oxolan-3-amine
CID 82743845
N-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-N-methylcyclohexanamine
CID 62392849
N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]pentan-2-amine
CID 62257887
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine
CID 82747858
N,4-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine
CID 63495608
N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cyclopropanamine
CID 63741708
N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
CID 62392512

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]oxan-4-amine?
The IUPAC name of N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]oxan-4-amine (CID 62258238) is N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]oxan-4-amine.
What is the SMILES notation for N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]oxan-4-amine?
The canonical SMILES for N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]oxan-4-amine is CC(C)NCC1(CN(C)C2CCOCC2)CCCC1.
What is the InChIKey of N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]oxan-4-amine?
The InChIKey is FJTOFPMMERRJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14(2)17-12-16(8-4-5-9-16)13-18(3)15-6-10-19-11-7-15/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]oxan-4-amine?
N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]oxan-4-amine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]oxan-4-amine is sourced from PubChem (CID 62258238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).