(3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine

C14H31N — CID 170065203

IUPAC(3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine
SMILESCC(C)[C@H](C)N(C)CC[C@H](C)C(C)(C)C
InChIInChI=1S/C14H31N/c1-11(2)13(4)15(8)10-9-12(3)14(5,6)7/h11-13H,9-10H2,1-8H3/t12-,13-/m0/s1
InChIKeyWJNWNLMUPWARGH-STQMWFEESA-N
MW213.41 g/mol
LogP4.03
Rot. Bonds5

About (3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine

(3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine (PubChem CID 170065203) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is (3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine.

Molecular Properties

Compound Name(3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine
PubChem CID170065203
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name(3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine
SMILESCC(C)[C@H](C)N(C)CC[C@H](C)C(C)(C)C
InChIInChI=1S/C14H31N/c1-11(2)13(4)15(8)10-9-12(3)14(5,6)7/h11-13H,9-10H2,1-8H3/t12-,13-/m0/s1
InChIKeyWJNWNLMUPWARGH-STQMWFEESA-N
XLogP4.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 61387189
N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 60850482
(2S)-N-(3,3-diphenylpropyl)-N,3-dimethylbutan-2-amine
CID 54447002
1-N,4-N,4-N,5-tetramethyl-1-N-(3-methylbutan-2-yl)hexane-1,4-diamine
CID 138662279
N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine
CID 62434303
4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 143734656
N-ethyl-N,6,7,7-tetramethyloctan-1-amine
CID 139519336
2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid
CID 106713917
N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 61387174
N'-methyl-N'-(3-methylbutan-2-yl)hexane-1,6-diamine
CID 43570225
(3S)-3,4,4-trimethylpentan-1-ol
CID 124507131
3-[methyl(3-methylbutan-2-yl)amino]propanethioamide
CID 43570122

Frequently Asked Questions

What is the IUPAC name of (3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine?
The IUPAC name of (3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine (CID 170065203) is (3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine.
What is the SMILES notation for (3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine?
The canonical SMILES for (3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine is CC(C)[C@H](C)N(C)CC[C@H](C)C(C)(C)C.
What is the InChIKey of (3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine?
The InChIKey is WJNWNLMUPWARGH-STQMWFEESA-N. The full InChI is InChI=1S/C14H31N/c1-11(2)13(4)15(8)10-9-12(3)14(5,6)7/h11-13H,9-10H2,1-8H3/t12-,13-/m0/s1.
What are the key properties of (3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine?
(3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine is sourced from PubChem (CID 170065203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).