(1S)-1-N'-cyclopropyl-1-N,1-N'-dimethyl-1-N-[(2S)-2-methylbutyl]ethane-1,1-diamine

C12H26N2 — CID 166963473

IUPAC(1S)-1-N'-cyclopropyl-1-N,1-N'-dimethyl-1-N-[(2S)-2-methylbutyl]ethane-1,1-diamine
SMILESCC[C@H](C)CN(C)[C@H](C)N(C)C1CC1
InChIInChI=1S/C12H26N2/c1-6-10(2)9-13(4)11(3)14(5)12-7-8-12/h10-12H,6-9H2,1-5H3/t10-,11-/m0/s1
InChIKeyZDUVBBZXOFLIML-QWRGUYRKSA-N
MW198.35 g/mol
LogP2.40
Rot. Bonds6

About (1S)-1-N'-cyclopropyl-1-N,1-N'-dimethyl-1-N-[(2S)-2-methylbutyl]ethane-1,1-diamine

(1S)-1-N'-cyclopropyl-1-N,1-N'-dimethyl-1-N-[(2S)-2-methylbutyl]ethane-1,1-diamine (PubChem CID 166963473) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is (1S)-1-N'-cyclopropyl-1-N,1-N'-dimethyl-1-N-[(2S)-2-methylbutyl]ethane-1,1-diamine.

Molecular Properties

Compound Name(1S)-1-N'-cyclopropyl-1-N,1-N'-dimethyl-1-N-[(2S)-2-methylbutyl]ethane-1,1-diamine
PubChem CID166963473
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name(1S)-1-N'-cyclopropyl-1-N,1-N'-dimethyl-1-N-[(2S)-2-methylbutyl]ethane-1,1-diamine
SMILESCC[C@H](C)CN(C)[C@H](C)N(C)C1CC1
InChIInChI=1S/C12H26N2/c1-6-10(2)9-13(4)11(3)14(5)12-7-8-12/h10-12H,6-9H2,1-5H3/t10-,11-/m0/s1
InChIKeyZDUVBBZXOFLIML-QWRGUYRKSA-N
XLogP2.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1S)-1-N'-cyclopropyl-1-N,1-N'-dimethyl-1-N-[(2S)-2-methylbutyl]ethane-1,1-diamine with MolForge

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Related Compounds

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CID 143778680
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CID 21024125
1-[cyclopentyl(methyl)amino]propan-1-ol
CID 175919705
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CID 83054076
N-methyl-N-(2-methylbutyl)hydroxylamine
CID 143701595
ethane;N,N,2-trimethylbutan-1-amine
CID 144720352
1-N-methyl-1-N-(2-methylbutyl)cyclobutane-1,3-diamine
CID 80561693
ethane;(2R)-N,N,2-trimethylbutan-1-amine
CID 178101295
2-N-cyclopropyl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62419681
4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline
CID 62105481
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine
CID 103225619
carbanide;rutherfordium;N,N,2-trimethylbutan-1-amine
CID 166075746

Frequently Asked Questions

What is the IUPAC name of (1S)-1-N'-cyclopropyl-1-N,1-N'-dimethyl-1-N-[(2S)-2-methylbutyl]ethane-1,1-diamine?
The IUPAC name of (1S)-1-N'-cyclopropyl-1-N,1-N'-dimethyl-1-N-[(2S)-2-methylbutyl]ethane-1,1-diamine (CID 166963473) is (1S)-1-N'-cyclopropyl-1-N,1-N'-dimethyl-1-N-[(2S)-2-methylbutyl]ethane-1,1-diamine.
What is the SMILES notation for (1S)-1-N'-cyclopropyl-1-N,1-N'-dimethyl-1-N-[(2S)-2-methylbutyl]ethane-1,1-diamine?
The canonical SMILES for (1S)-1-N'-cyclopropyl-1-N,1-N'-dimethyl-1-N-[(2S)-2-methylbutyl]ethane-1,1-diamine is CC[C@H](C)CN(C)[C@H](C)N(C)C1CC1.
What is the InChIKey of (1S)-1-N'-cyclopropyl-1-N,1-N'-dimethyl-1-N-[(2S)-2-methylbutyl]ethane-1,1-diamine?
The InChIKey is ZDUVBBZXOFLIML-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-10(2)9-13(4)11(3)14(5)12-7-8-12/h10-12H,6-9H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of (1S)-1-N'-cyclopropyl-1-N,1-N'-dimethyl-1-N-[(2S)-2-methylbutyl]ethane-1,1-diamine?
(1S)-1-N'-cyclopropyl-1-N,1-N'-dimethyl-1-N-[(2S)-2-methylbutyl]ethane-1,1-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-N'-cyclopropyl-1-N,1-N'-dimethyl-1-N-[(2S)-2-methylbutyl]ethane-1,1-diamine is sourced from PubChem (CID 166963473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).