(3S)-2-methyl-3-(nitrosomethyl)octan-1-amine

C10H22N2O — CID 163966998

IUPAC(3S)-2-methyl-3-(nitrosomethyl)octan-1-amine
SMILESCCCCC[C@H](CN=O)C(C)CN
InChIInChI=1S/C10H22N2O/c1-3-4-5-6-10(8-12-13)9(2)7-11/h9-10H,3-8,11H2,1-2H3/t9?,10-/m1/s1
InChIKeySMQROVONDSMDQW-QVDQXJPCSA-N
MW186.30 g/mol
LogP2.54
Rot. Bonds8

About (3S)-2-methyl-3-(nitrosomethyl)octan-1-amine

(3S)-2-methyl-3-(nitrosomethyl)octan-1-amine (PubChem CID 163966998) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (3S)-2-methyl-3-(nitrosomethyl)octan-1-amine.

Molecular Properties

Compound Name(3S)-2-methyl-3-(nitrosomethyl)octan-1-amine
PubChem CID163966998
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(3S)-2-methyl-3-(nitrosomethyl)octan-1-amine
SMILESCCCCC[C@H](CN=O)C(C)CN
InChIInChI=1S/C10H22N2O/c1-3-4-5-6-10(8-12-13)9(2)7-11/h9-10H,3-8,11H2,1-2H3/t9?,10-/m1/s1
InChIKeySMQROVONDSMDQW-QVDQXJPCSA-N
XLogP2.54
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethylpentadecan-1-amine
CID 81010439
2-propan-2-yloctan-1-amine
CID 62504332
7-(nitrosomethyl)pentadecane
CID 54309093
9-(nitrosomethyl)icosane
CID 122613192
8-methyl-7-pentylhexadecane
CID 123739023
(2R)-1,2-dinitrosohexane
CID 118601800
2-ethyl-3-nonyldodecan-1-amine
CID 162166670
9,10-diethyloctadecane
CID 530164
3-ethyl-2-methylhexan-1-amine
CID 91121737
9-butyl-10-methyloctadecane
CID 174796911
6-[(2S)-1-fluoropropan-2-yl]tridecane
CID 154930317
2-methyltricosan-1-amine
CID 87547792

Frequently Asked Questions

What is the IUPAC name of (3S)-2-methyl-3-(nitrosomethyl)octan-1-amine?
The IUPAC name of (3S)-2-methyl-3-(nitrosomethyl)octan-1-amine (CID 163966998) is (3S)-2-methyl-3-(nitrosomethyl)octan-1-amine.
What is the SMILES notation for (3S)-2-methyl-3-(nitrosomethyl)octan-1-amine?
The canonical SMILES for (3S)-2-methyl-3-(nitrosomethyl)octan-1-amine is CCCCC[C@H](CN=O)C(C)CN.
What is the InChIKey of (3S)-2-methyl-3-(nitrosomethyl)octan-1-amine?
The InChIKey is SMQROVONDSMDQW-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-4-5-6-10(8-12-13)9(2)7-11/h9-10H,3-8,11H2,1-2H3/t9?,10-/m1/s1.
What are the key properties of (3S)-2-methyl-3-(nitrosomethyl)octan-1-amine?
(3S)-2-methyl-3-(nitrosomethyl)octan-1-amine has a molecular weight of 186.30 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-3-(nitrosomethyl)octan-1-amine is sourced from PubChem (CID 163966998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).