N-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide

C14H29N3O — CID 43613858

IUPACN-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide
SMILESCN(CCCN)C(=O)CN(C)C1CCCCCC1
InChIInChI=1S/C14H29N3O/c1-16(11-7-10-15)14(18)12-17(2)13-8-5-3-4-6-9-13/h13H,3-12,15H2,1-2H3
InChIKeyLQDZPWRRRWVNSP-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.45
Rot. Bonds6

About N-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide

N-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide (PubChem CID 43613858) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide
PubChem CID43613858
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide
SMILESCN(CCCN)C(=O)CN(C)C1CCCCCC1
InChIInChI=1S/C14H29N3O/c1-16(11-7-10-15)14(18)12-17(2)13-8-5-3-4-6-9-13/h13H,3-12,15H2,1-2H3
InChIKeyLQDZPWRRRWVNSP-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide
CID 82731736
N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide
CID 115737510
N-(3-aminopropyl)-2-cyclohexyloxy-N-methylacetamide
CID 43253953
1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea
CID 79153945
N-(3-aminopropyl)-N-methylcyclooctanecarboxamide
CID 65019001
N-(3-aminopropyl)-2-[cyclopropylmethyl(methyl)amino]-N-methylacetamide
CID 60985762
3-amino-N-(3-aminopropyl)-N-cyclohexylpropanamide
CID 134484716
N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylpropanamide
CID 70842283
2-[cyclohexyl(methyl)amino]acetamide
CID 22200523
N-(3-aminopropyl)-N-cycloheptylbutanamide
CID 43136885
N-(2-aminoethyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 61207694
N-(4-aminobutyl)-N-methylcyclohexanecarboxamide
CID 67635638

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide (CID 43613858) is N-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide is CN(CCCN)C(=O)CN(C)C1CCCCCC1.
What is the InChIKey of N-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide?
The InChIKey is LQDZPWRRRWVNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-16(11-7-10-15)14(18)12-17(2)13-8-5-3-4-6-9-13/h13H,3-12,15H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide?
N-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide has a molecular weight of 255.41 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide is sourced from PubChem (CID 43613858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).