2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride

C15H31ClN2O2 — CID 119819588

IUPAC2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC1CCCOC1C(C)C.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-5-11(4)13(16)15(18)17-9-12-7-6-8-19-14(12)10(2)3;/h10-14H,5-9,16H2,1-4H3,(H,17,18);1H
InChIKeySWUDMQJQBNISNN-UHFFFAOYSA-N
MW306.88 g/mol
LogP2.35
Rot. Bonds6

About 2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride

2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride (PubChem CID 119819588) has the molecular formula C15H31ClN2O2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
PubChem CID119819588
Molecular FormulaC15H31ClN2O2
Molecular Weight306.88 g/mol
Exact Mass306.21
IUPAC Name2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC1CCCOC1C(C)C.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-5-11(4)13(16)15(18)17-9-12-7-6-8-19-14(12)10(2)3;/h10-14H,5-9,16H2,1-4H3,(H,17,18);1H
InChIKeySWUDMQJQBNISNN-UHFFFAOYSA-N
XLogP2.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride
CID 119344063
3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride
CID 120502267
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61174562
4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 120564004
2-amino-N-[(2-propan-2-yloxolan-3-yl)methyl]propanamide
CID 119343855
2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide
CID 115738399
1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide
CID 119819545
3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide
CID 120502254
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride
CID 119821615
(2S)-2-amino-3,3-dimethyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide;hydrochloride
CID 119819182
(2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide
CID 61155055
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxan-3-yl)methyl]acetamide
CID 119819575

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride (CID 119819588) is 2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride is CCC(C)C(N)C(=O)NCC1CCCOC1C(C)C.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride?
The InChIKey is SWUDMQJQBNISNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.ClH/c1-5-11(4)13(16)15(18)17-9-12-7-6-8-19-14(12)10(2)3;/h10-14H,5-9,16H2,1-4H3,(H,17,18);1H.
What are the key properties of 2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride?
2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride has a molecular weight of 306.88 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119819588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).