(2R)-4-ethyl-N-methyl-N-propan-2-ylhexan-2-amine

C12H27N — CID 89150856

IUPAC(2R)-4-ethyl-N-methyl-N-propan-2-ylhexan-2-amine
SMILESCCC(CC)C[C@@H](C)N(C)C(C)C
InChIInChI=1S/C12H27N/c1-7-12(8-2)9-11(5)13(6)10(3)4/h10-12H,7-9H2,1-6H3/t11-/m1/s1
InChIKeyBOQRKHFRKDNMDZ-LLVKDONJSA-N
MW185.35 g/mol
LogP3.54
Rot. Bonds6

About (2R)-4-ethyl-N-methyl-N-propan-2-ylhexan-2-amine

(2R)-4-ethyl-N-methyl-N-propan-2-ylhexan-2-amine (PubChem CID 89150856) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is (2R)-4-ethyl-N-methyl-N-propan-2-ylhexan-2-amine.

Molecular Properties

Compound Name(2R)-4-ethyl-N-methyl-N-propan-2-ylhexan-2-amine
PubChem CID89150856
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name(2R)-4-ethyl-N-methyl-N-propan-2-ylhexan-2-amine
SMILESCCC(CC)C[C@@H](C)N(C)C(C)C
InChIInChI=1S/C12H27N/c1-7-12(8-2)9-11(5)13(6)10(3)4/h10-12H,7-9H2,1-6H3/t11-/m1/s1
InChIKeyBOQRKHFRKDNMDZ-LLVKDONJSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-methyl-4-N-pentan-2-yl-2-N,4-N-di(propan-2-yl)pentane-2,4-diamine
CID 166949020
(5S)-3-ethyl-5-methylheptane
CID 59094044
bis(4-ethyl-2-methylhexane);2-methylbutane
CID 161441490
(2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine
CID 148926186
(1S)-1-cyclopropyl-N-methyl-N-propan-2-ylpropan-1-amine
CID 166781329
(3S)-N,2,4-trimethyl-N-propan-2-ylhexan-3-amine
CID 59252899
2-ethyl-N',N',4-trimethylpentane-1,5-diamine
CID 170202582
N,6-dimethyl-5-methylidene-N-propan-2-yl-4-propylheptan-2-amine
CID 170048079
4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol
CID 142726769
4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol
CID 158257975
ethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene)
CID 143418802
tert-butyl N-methyl-N-[4-[methyl(propan-2-yl)amino]pentan-2-yl]carbamate
CID 146561682

Frequently Asked Questions

What is the IUPAC name of (2R)-4-ethyl-N-methyl-N-propan-2-ylhexan-2-amine?
The IUPAC name of (2R)-4-ethyl-N-methyl-N-propan-2-ylhexan-2-amine (CID 89150856) is (2R)-4-ethyl-N-methyl-N-propan-2-ylhexan-2-amine.
What is the SMILES notation for (2R)-4-ethyl-N-methyl-N-propan-2-ylhexan-2-amine?
The canonical SMILES for (2R)-4-ethyl-N-methyl-N-propan-2-ylhexan-2-amine is CCC(CC)C[C@@H](C)N(C)C(C)C.
What is the InChIKey of (2R)-4-ethyl-N-methyl-N-propan-2-ylhexan-2-amine?
The InChIKey is BOQRKHFRKDNMDZ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H27N/c1-7-12(8-2)9-11(5)13(6)10(3)4/h10-12H,7-9H2,1-6H3/t11-/m1/s1.
What are the key properties of (2R)-4-ethyl-N-methyl-N-propan-2-ylhexan-2-amine?
(2R)-4-ethyl-N-methyl-N-propan-2-ylhexan-2-amine has a molecular weight of 185.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-ethyl-N-methyl-N-propan-2-ylhexan-2-amine is sourced from PubChem (CID 89150856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).