2-(aminomethyl)-4,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide

C18H28N2O — CID 107472031

IUPAC2-(aminomethyl)-4,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide
SMILESCC(C)(C)CC(CN)C(=O)NC1CCc2ccccc2C1
InChIInChI=1S/C18H28N2O/c1-18(2,3)11-15(12-19)17(21)20-16-9-8-13-6-4-5-7-14(13)10-16/h4-7,15-16H,8-12,19H2,1-3H3,(H,20,21)
InChIKeyABXZDZAQMCYSMO-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.67
Rot. Bonds4

About 2-(aminomethyl)-4,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide

2-(aminomethyl)-4,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide (PubChem CID 107472031) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide
PubChem CID107472031
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide
SMILESCC(C)(C)CC(CN)C(=O)NC1CCc2ccccc2C1
InChIInChI=1S/C18H28N2O/c1-18(2,3)11-15(12-19)17(21)20-16-9-8-13-6-4-5-7-14(13)10-16/h4-7,15-16H,8-12,19H2,1-3H3,(H,20,21)
InChIKeyABXZDZAQMCYSMO-UHFFFAOYSA-N
XLogP2.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 81089612
(2R)-2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide;hydrochloride
CID 119270502
2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide
CID 62305097
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 79202769
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
CID 62305100
2-(N'-hydroxycarbamimidoyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
CID 76939422
(2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid
CID 166506978
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 11775776
propan-2-yl N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 116655524
2-propan-2-yloxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 112686633

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide (CID 107472031) is 2-(aminomethyl)-4,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide is CC(C)(C)CC(CN)C(=O)NC1CCc2ccccc2C1.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide?
The InChIKey is ABXZDZAQMCYSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2,3)11-15(12-19)17(21)20-16-9-8-13-6-4-5-7-14(13)10-16/h4-7,15-16H,8-12,19H2,1-3H3,(H,20,21).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide has a molecular weight of 288.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide is sourced from PubChem (CID 107472031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).