(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine

C9H19NO — CID 171514962

IUPAC(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
SMILESCC(C)CN(C)[C@H]1CCOC1
InChIInChI=1S/C9H19NO/c1-8(2)6-10(3)9-4-5-11-7-9/h8-9H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyTZELNFPAZJYRBE-VIFPVBQESA-N
MW157.26 g/mol
LogP1.36
Rot. Bonds3

About (3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine

(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine (PubChem CID 171514962) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
PubChem CID171514962
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
SMILESCC(C)CN(C)[C@H]1CCOC1
InChIInChI=1S/C9H19NO/c1-8(2)6-10(3)9-4-5-11-7-9/h8-9H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyTZELNFPAZJYRBE-VIFPVBQESA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 103935293
N,2-dimethyl-N-(oxolan-3-yl)butane-1,4-diamine
CID 82740013
1-[methyl(oxolan-3-yl)amino]pentan-2-ol
CID 82748731
N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine
CID 124729941
2-methyl-3-[methyl(oxolan-3-yl)amino]propanehydrazide
CID 82754042
N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754643
2-methyl-3-[methyl(oxolan-3-yl)amino]propanimidamide
CID 63558755
1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 82734279
N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine
CID 104746914
2-[methyl(oxolan-3-yl)amino]acetaldehyde
CID 82742163
N-methyl-N-(2-methylpropyl)cyclopentanamine
CID 89147388
2-methyl-3-[methyl(oxolan-3-yl)amino]-1-phenylpropan-1-one
CID 82743357

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine?
The IUPAC name of (3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine (CID 171514962) is (3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine.
What is the SMILES notation for (3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine?
The canonical SMILES for (3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine is CC(C)CN(C)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine?
The InChIKey is TZELNFPAZJYRBE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)6-10(3)9-4-5-11-7-9/h8-9H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of (3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine?
(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine is sourced from PubChem (CID 171514962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).