N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine

C14H30N2 — CID 107178474

IUPACN'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine
SMILESCCCNCCCNCC1CCCC1(C)C
InChIInChI=1S/C14H30N2/c1-4-9-15-10-6-11-16-12-13-7-5-8-14(13,2)3/h13,15-16H,4-12H2,1-3H3
InChIKeyLXPSFWPXKMVYGC-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.79
Rot. Bonds8

About N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine

N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine (PubChem CID 107178474) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine
PubChem CID107178474
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine
SMILESCCCNCCCNCC1CCCC1(C)C
InChIInChI=1S/C14H30N2/c1-4-9-15-10-6-11-16-12-13-7-5-8-14(13,2)3/h13,15-16H,4-12H2,1-3H3
InChIKeyLXPSFWPXKMVYGC-UHFFFAOYSA-N
XLogP2.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine
CID 107178371
N'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine
CID 107178361
N'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine
CID 107001505
N-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine
CID 79862677
N-[(2,2-dimethylcyclohexyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 107178393
azane;2-butyl-1,1-dimethylcyclopentane
CID 174501444
N-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine
CID 65087341
N-[(2,2-dimethylcyclopentyl)methyl]cycloheptanamine
CID 107178325
N-[(2-heptyl-2-methylcyclopropyl)methyl]propan-1-amine
CID 63514212
3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 107185508
N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine
CID 21145819
1-(2,2-dimethylcycloheptyl)-N-methylmethanamine
CID 83905807

Frequently Asked Questions

What is the IUPAC name of N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine?
The IUPAC name of N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine (CID 107178474) is N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine is CCCNCCCNCC1CCCC1(C)C.
What is the InChIKey of N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine?
The InChIKey is LXPSFWPXKMVYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-9-15-10-6-11-16-12-13-7-5-8-14(13,2)3/h13,15-16H,4-12H2,1-3H3.
What are the key properties of N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine?
N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine is sourced from PubChem (CID 107178474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).