N-[(3S)-3,5-dimethyl-5-morpholin-4-ylhexyl]-1-(2-methylpropyl)cyclopropan-1-amine

C19H38N2O — CID 130220671

IUPACN-[(3S)-3,5-dimethyl-5-morpholin-4-ylhexyl]-1-(2-methylpropyl)cyclopropan-1-amine
SMILESCC(C)CC1(NCC[C@H](C)CC(C)(C)N2CCOCC2)CC1
InChIInChI=1S/C19H38N2O/c1-16(2)14-19(7-8-19)20-9-6-17(3)15-18(4,5)21-10-12-22-13-11-21/h16-17,20H,6-15H2,1-5H3/t17-/m0/s1
InChIKeyRXDXDJCANQFQEZ-KRWDZBQOSA-N
MW310.53 g/mol
LogP3.68
Rot. Bonds9

About N-[(3S)-3,5-dimethyl-5-morpholin-4-ylhexyl]-1-(2-methylpropyl)cyclopropan-1-amine

N-[(3S)-3,5-dimethyl-5-morpholin-4-ylhexyl]-1-(2-methylpropyl)cyclopropan-1-amine (PubChem CID 130220671) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is N-[(3S)-3,5-dimethyl-5-morpholin-4-ylhexyl]-1-(2-methylpropyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(3S)-3,5-dimethyl-5-morpholin-4-ylhexyl]-1-(2-methylpropyl)cyclopropan-1-amine
PubChem CID130220671
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC NameN-[(3S)-3,5-dimethyl-5-morpholin-4-ylhexyl]-1-(2-methylpropyl)cyclopropan-1-amine
SMILESCC(C)CC1(NCC[C@H](C)CC(C)(C)N2CCOCC2)CC1
InChIInChI=1S/C19H38N2O/c1-16(2)14-19(7-8-19)20-9-6-17(3)15-18(4,5)21-10-12-22-13-11-21/h16-17,20H,6-15H2,1-5H3/t17-/m0/s1
InChIKeyRXDXDJCANQFQEZ-KRWDZBQOSA-N
XLogP3.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Methoxyethyl)(methyl)[3-(piperidin-4-yl)propyl]amine
CID 62212503
N-[2-(2-aminoethoxy)ethyl]-2,2,6,6-tetraethylpiperidin-4-amine
CID 20538481
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclopropanamine
CID 62592394
N-(2-methoxyethyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
CID 69299158
5-methyl-N,N,4-tripropyloctan-4-amine;morpholine
CID 70257425
N,4-dimethyl-1-(2-propoxyethyl)piperidin-4-amine
CID 106455103
2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine
CID 115942852
N-tert-butyl-9-methyl-9-morpholin-4-yldecan-1-amine
CID 126624930
5-methyl-N-(2-morpholin-4-ylethyl)nonan-5-amine
CID 130269904
3-methyl-N-(2-morpholin-4-ylethyl)hexan-3-amine
CID 130471480
6-methyl-N-(2-morpholin-4-ylethyl)undecan-6-amine
CID 130471504
4-(2,5-Dimethyl-5-piperazin-1-ylhexan-2-yl)morpholine
CID 134214478

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3,5-dimethyl-5-morpholin-4-ylhexyl]-1-(2-methylpropyl)cyclopropan-1-amine?
The IUPAC name of N-[(3S)-3,5-dimethyl-5-morpholin-4-ylhexyl]-1-(2-methylpropyl)cyclopropan-1-amine (CID 130220671) is N-[(3S)-3,5-dimethyl-5-morpholin-4-ylhexyl]-1-(2-methylpropyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(3S)-3,5-dimethyl-5-morpholin-4-ylhexyl]-1-(2-methylpropyl)cyclopropan-1-amine?
The canonical SMILES for N-[(3S)-3,5-dimethyl-5-morpholin-4-ylhexyl]-1-(2-methylpropyl)cyclopropan-1-amine is CC(C)CC1(NCC[C@H](C)CC(C)(C)N2CCOCC2)CC1.
What is the InChIKey of N-[(3S)-3,5-dimethyl-5-morpholin-4-ylhexyl]-1-(2-methylpropyl)cyclopropan-1-amine?
The InChIKey is RXDXDJCANQFQEZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H38N2O/c1-16(2)14-19(7-8-19)20-9-6-17(3)15-18(4,5)21-10-12-22-13-11-21/h16-17,20H,6-15H2,1-5H3/t17-/m0/s1.
What are the key properties of N-[(3S)-3,5-dimethyl-5-morpholin-4-ylhexyl]-1-(2-methylpropyl)cyclopropan-1-amine?
N-[(3S)-3,5-dimethyl-5-morpholin-4-ylhexyl]-1-(2-methylpropyl)cyclopropan-1-amine has a molecular weight of 310.53 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3,5-dimethyl-5-morpholin-4-ylhexyl]-1-(2-methylpropyl)cyclopropan-1-amine is sourced from PubChem (CID 130220671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).