2-(3-aminopropylamino)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]acetamide

C15H31N3O — CID 101140756

IUPAC2-(3-aminopropylamino)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]acetamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CNCCCN
InChIInChI=1S/C15H31N3O/c1-11(2)13-6-5-12(3)9-14(13)18-15(19)10-17-8-4-7-16/h11-14,17H,4-10,16H2,1-3H3,(H,18,19)/t12-,13+,14-/m1/s1
InChIKeyQQGHTJZOPXFRAZ-HZSPNIEDSA-N
MW269.43 g/mol
LogP1.50
Rot. Bonds7

About 2-(3-aminopropylamino)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]acetamide

2-(3-aminopropylamino)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]acetamide (PubChem CID 101140756) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(3-aminopropylamino)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3-aminopropylamino)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]acetamide
PubChem CID101140756
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(3-aminopropylamino)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]acetamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CNCCCN
InChIInChI=1S/C15H31N3O/c1-11(2)13-6-5-12(3)9-14(13)18-15(19)10-17-8-4-7-16/h11-14,17H,4-10,16H2,1-3H3,(H,18,19)/t12-,13+,14-/m1/s1
InChIKeyQQGHTJZOPXFRAZ-HZSPNIEDSA-N
XLogP1.50
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Cyano-methyl-amino)-N-((S)-2-cyclohexyl-1-methyl-ethyl)-acetamide
CID 44398665
Diaethylaminoessigsaeure-cis,cis-2,6-dimethylcyclohexylamid [German]
CID 3044615
Acetamide, 2-(diethylamino)-N-(2,6-dimethylcyclohexyl)-, (1-alpha,2-alpha,6-beta)-
CID 3044616
Acetamide, N-(bicyclo(2.2.2)oct-2-yl)-2-(diethylamino)-, hydrochloride
CID 24832140
2-acetamido-N-(4-methylcyclohexyl)acetamide
CID 8895159
2-[(2-tert-butylcyclohexyl)amino]-N,N-dimethylacetamide
CID 43214582
N-[2-[(2,6-dimethylcyclohexyl)amino]-2-oxoethyl]-2-methylbutanamide
CID 72041630
(2S)-2-(carbamoylamino)-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 94208897
N-[(1R,2R)-2-ethylcyclohexyl]-2-pyrrolidin-1-ylacetamide
CID 134859235
N-[(1S,2S)-2-propan-2-ylcyclohexyl]acetamide
CID 162400873
N-(2-bicyclo[2.2.2]octanyl)-2-(diethylamino)acetamide
CID 24832141
2-[(2-ethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54962001

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]acetamide?
The IUPAC name of 2-(3-aminopropylamino)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]acetamide (CID 101140756) is 2-(3-aminopropylamino)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]acetamide.
What is the SMILES notation for 2-(3-aminopropylamino)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]acetamide?
The canonical SMILES for 2-(3-aminopropylamino)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]acetamide is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CNCCCN.
What is the InChIKey of 2-(3-aminopropylamino)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]acetamide?
The InChIKey is QQGHTJZOPXFRAZ-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H31N3O/c1-11(2)13-6-5-12(3)9-14(13)18-15(19)10-17-8-4-7-16/h11-14,17H,4-10,16H2,1-3H3,(H,18,19)/t12-,13+,14-/m1/s1.
What are the key properties of 2-(3-aminopropylamino)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]acetamide?
2-(3-aminopropylamino)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]acetamide has a molecular weight of 269.43 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]acetamide is sourced from PubChem (CID 101140756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).