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

C14H29ClN2O2 — CID 120564004

IUPAC4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCC1CCCOC1C(C)C.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-10(2)14-12(5-4-8-18-14)9-16-13(17)7-6-11(3)15;/h10-12,14H,4-9,15H2,1-3H3,(H,16,17);1H
InChIKeyJJIUNYYMWYKVKG-UHFFFAOYSA-N
MW292.85 g/mol
LogP2.10
Rot. Bonds6

About 4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride

4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride (PubChem CID 120564004) has the molecular formula C14H29ClN2O2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
PubChem CID120564004
Molecular FormulaC14H29ClN2O2
Molecular Weight292.85 g/mol
Exact Mass292.19
IUPAC Name4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCC1CCCOC1C(C)C.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-10(2)14-12(5-4-8-18-14)9-16-13(17)7-6-11(3)15;/h10-12,14H,4-9,15H2,1-3H3,(H,16,17);1H
InChIKeyJJIUNYYMWYKVKG-UHFFFAOYSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 52.10
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
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxan-3-yl)methyl]acetamide
CID 119819575
2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 119819588
4-amino-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107418378
1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide
CID 119819545
3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119819562
4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120937132
9-amino-N-[(2-propan-2-yloxan-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991857
4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride
CID 120561038
2-amino-N-[(2-propan-2-yloxolan-3-yl)methyl]propanamide
CID 119343855
1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122005273

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride (CID 120564004) is 4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride is CC(N)CCC(=O)NCC1CCCOC1C(C)C.Cl.
What is the InChIKey of 4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride?
The InChIKey is JJIUNYYMWYKVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2.ClH/c1-10(2)14-12(5-4-8-18-14)9-16-13(17)7-6-11(3)15;/h10-12,14H,4-9,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride?
4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride has a molecular weight of 292.85 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 120564004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).