2-ethyl-4,5-dimethylhexan-1-amine

C10H23N — CID 147299389

IUPAC2-ethyl-4,5-dimethylhexan-1-amine
SMILESCCC(CN)CC(C)C(C)C
InChIInChI=1S/C10H23N/c1-5-10(7-11)6-9(4)8(2)3/h8-10H,5-7,11H2,1-4H3
InChIKeyCVTMTIKUCIOXJD-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.65
Rot. Bonds5

About 2-ethyl-4,5-dimethylhexan-1-amine

2-ethyl-4,5-dimethylhexan-1-amine (PubChem CID 147299389) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 2-ethyl-4,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-4,5-dimethylhexan-1-amine
PubChem CID147299389
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name2-ethyl-4,5-dimethylhexan-1-amine
SMILESCCC(CN)CC(C)C(C)C
InChIInChI=1S/C10H23N/c1-5-10(7-11)6-9(4)8(2)3/h8-10H,5-7,11H2,1-4H3
InChIKeyCVTMTIKUCIOXJD-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-diethylpentane-1,5-diamine;ethanamine
CID 162225203
2-ethylpropane-1,3-diamine
CID 14499053
2-ethyl-N,4,5-trimethylhexan-1-amine
CID 123189418
2-ethyl-4-methyloctan-1-amine
CID 21358746
4-(aminomethyl)-2-methylhexanoic acid
CID 177106642
2-ethyl-N',N',4-trimethylpentane-1,5-diamine
CID 170202582
4-(aminomethyl)-2-methylhexanoyl iodide
CID 163999902
2-ethyl-4,5-dimethyl-N-propylhexan-1-amine
CID 134267179
5-(tert-butylsulfanylmethyl)-2,3-dimethylheptane
CID 123486211
(3R,5R)-2,3,5,6-tetramethylheptane
CID 102426642
(5R)-2,3,5-trimethylheptane
CID 59882960
(3R,6R)-3-ethyl-6,7-dimethyloctan-1-amine
CID 163936645

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5-dimethylhexan-1-amine?
The IUPAC name of 2-ethyl-4,5-dimethylhexan-1-amine (CID 147299389) is 2-ethyl-4,5-dimethylhexan-1-amine.
What is the SMILES notation for 2-ethyl-4,5-dimethylhexan-1-amine?
The canonical SMILES for 2-ethyl-4,5-dimethylhexan-1-amine is CCC(CN)CC(C)C(C)C.
What is the InChIKey of 2-ethyl-4,5-dimethylhexan-1-amine?
The InChIKey is CVTMTIKUCIOXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-5-10(7-11)6-9(4)8(2)3/h8-10H,5-7,11H2,1-4H3.
What are the key properties of 2-ethyl-4,5-dimethylhexan-1-amine?
2-ethyl-4,5-dimethylhexan-1-amine has a molecular weight of 157.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5-dimethylhexan-1-amine is sourced from PubChem (CID 147299389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).