N-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide

C12H25N3O — CID 122080965

IUPACN-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide
SMILESCCCCC(CN)NC(=O)CNCC1CC1
InChIInChI=1S/C12H25N3O/c1-2-3-4-11(7-13)15-12(16)9-14-8-10-5-6-10/h10-11,14H,2-9,13H2,1H3,(H,15,16)
InChIKeyAWGKNELTBHIXTN-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.62
Rot. Bonds9

About N-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide

N-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide (PubChem CID 122080965) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide
PubChem CID122080965
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide
SMILESCCCCC(CN)NC(=O)CNCC1CC1
InChIInChI=1S/C12H25N3O/c1-2-3-4-11(7-13)15-12(16)9-14-8-10-5-6-10/h10-11,14H,2-9,13H2,1H3,(H,15,16)
InChIKeyAWGKNELTBHIXTN-UHFFFAOYSA-N
XLogP0.62
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride
CID 119795716
N-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide
CID 122080607
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
CID 119665633
2-N-(cyclopropylmethyl)hexane-1,2-diamine
CID 65384187
N-(1-aminohexan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603533
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 119666894
2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride
CID 119668001
N-(1-aminohexan-2-yl)cyclohexanecarboxamide
CID 80697500
N-(1-aminohexan-2-yl)-3-propoxypropanamide
CID 80697621
N-(1-aminobutan-2-yl)-2-cyclopropylacetamide
CID 63755358
methyl 2-[[2-(cyclopropylmethylamino)acetyl]amino]butanoate
CID 119709040
N-(1-aminohexan-2-yl)-3-methylpentanamide
CID 114875681

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide (CID 122080965) is N-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide is CCCCC(CN)NC(=O)CNCC1CC1.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide?
The InChIKey is AWGKNELTBHIXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-2-3-4-11(7-13)15-12(16)9-14-8-10-5-6-10/h10-11,14H,2-9,13H2,1H3,(H,15,16).
What are the key properties of N-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide?
N-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.62, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 122080965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).