(2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine

C11H25N — CID 148926186

IUPAC(2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine
SMILESCC(C)CC[C@H](C)N(C)C(C)C
InChIInChI=1S/C11H25N/c1-9(2)7-8-11(5)12(6)10(3)4/h9-11H,7-8H2,1-6H3/t11-/m0/s1
InChIKeyPLALAKYYUAUXPX-NSHDSACASA-N
MW171.33 g/mol
LogP3.15
Rot. Bonds5

About (2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine

(2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine (PubChem CID 148926186) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is (2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine.

Molecular Properties

Compound Name(2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine
PubChem CID148926186
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name(2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine
SMILESCC(C)CC[C@H](C)N(C)C(C)C
InChIInChI=1S/C11H25N/c1-9(2)7-8-11(5)12(6)10(3)4/h9-11H,7-8H2,1-6H3/t11-/m0/s1
InChIKeyPLALAKYYUAUXPX-NSHDSACASA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N,N,5-trimethylhexan-2-amine
CID 144654908
propane;N,N,3-trimethylbutan-1-amine
CID 144828505
1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
CID 62423009
1-N,4-N-dimethyl-1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine
CID 143778680
1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
CID 62423187
(2R)-4-ethyl-N-methyl-N-propan-2-ylhexan-2-amine
CID 89150856
2,5-dimethylheptane;propane
CID 145235091
2-N-methyl-4-N-pentan-2-yl-2-N,4-N-di(propan-2-yl)pentane-2,4-diamine
CID 166949020
methane;2-methylpentane;propane
CID 161026516
N,N,5-trimethyl-2-propylhexan-1-amine
CID 123395746
2-methyl-3-[methyl(5-methylhexan-2-yl)amino]propanoic acid
CID 65067442
2,9-dimethyl-5,6-bis(3-methylbutyl)decane
CID 139994880

Frequently Asked Questions

What is the IUPAC name of (2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine?
The IUPAC name of (2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine (CID 148926186) is (2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine.
What is the SMILES notation for (2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine?
The canonical SMILES for (2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine is CC(C)CC[C@H](C)N(C)C(C)C.
What is the InChIKey of (2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine?
The InChIKey is PLALAKYYUAUXPX-NSHDSACASA-N. The full InChI is InChI=1S/C11H25N/c1-9(2)7-8-11(5)12(6)10(3)4/h9-11H,7-8H2,1-6H3/t11-/m0/s1.
What are the key properties of (2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine?
(2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine has a molecular weight of 171.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine is sourced from PubChem (CID 148926186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).