(2S)-2-methyl-N-propan-2-ylpentan-1-amine

C9H21N — CID 28610224

IUPAC(2S)-2-methyl-N-propan-2-ylpentan-1-amine
SMILESCCC[C@H](C)CNC(C)C
InChIInChI=1S/C9H21N/c1-5-6-9(4)7-10-8(2)3/h8-10H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyRJAPGUHSRRUUNE-VIFPVBQESA-N
MW143.27 g/mol
LogP2.42
Rot. Bonds5

About (2S)-2-methyl-N-propan-2-ylpentan-1-amine

(2S)-2-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 28610224) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is (2S)-2-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name(2S)-2-methyl-N-propan-2-ylpentan-1-amine
PubChem CID28610224
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name(2S)-2-methyl-N-propan-2-ylpentan-1-amine
SMILESCCC[C@H](C)CNC(C)C
InChIInChI=1S/C9H21N/c1-5-6-9(4)7-10-8(2)3/h8-10H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyRJAPGUHSRRUUNE-VIFPVBQESA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylpentylamino)ethanol
CID 88836184
2-methyl-N-pentan-3-ylpentan-1-amine
CID 43204323
(2R)-2-methyl-N-propan-2-ylbutan-1-amine
CID 28610226
2-(2-methylpentylamino)propane-1,3-diol
CID 65315712
N-(1-chloropropan-2-yl)-2-methylpentan-1-amine
CID 65025793
5-ethyl-2-methyl-N-propan-2-ylnonan-1-amine
CID 64666042
1-(propan-2-ylamino)pentan-2-ol
CID 20554634
(2S)-3-methyl-2-(2-methylpentylamino)butan-1-ol
CID 79253780
3,5-dimethyl-N-propan-2-yloctan-1-amine
CID 81018582
2,5,5-trimethyl-N-propan-2-ylhexan-1-amine
CID 62530891
4-methylheptane
CID 11512
4-methylheptane
CID 91413347

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of (2S)-2-methyl-N-propan-2-ylpentan-1-amine (CID 28610224) is (2S)-2-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for (2S)-2-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for (2S)-2-methyl-N-propan-2-ylpentan-1-amine is CCC[C@H](C)CNC(C)C.
What is the InChIKey of (2S)-2-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is RJAPGUHSRRUUNE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H21N/c1-5-6-9(4)7-10-8(2)3/h8-10H,5-7H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-2-methyl-N-propan-2-ylpentan-1-amine?
(2S)-2-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 143.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 28610224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).