N-(3-butoxypropyl)-2,2-dimethylcyclopentan-1-amine

C14H29NO — CID 115704494

IUPACN-(3-butoxypropyl)-2,2-dimethylcyclopentan-1-amine
SMILESCCCCOCCCNC1CCCC1(C)C
InChIInChI=1S/C14H29NO/c1-4-5-11-16-12-7-10-15-13-8-6-9-14(13,2)3/h13,15H,4-12H2,1-3H3
InChIKeyUHZJQHSUBFQDMF-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds8

About N-(3-butoxypropyl)-2,2-dimethylcyclopentan-1-amine

N-(3-butoxypropyl)-2,2-dimethylcyclopentan-1-amine (PubChem CID 115704494) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2,2-dimethylcyclopentan-1-amine
PubChem CID115704494
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(3-butoxypropyl)-2,2-dimethylcyclopentan-1-amine
SMILESCCCCOCCCNC1CCCC1(C)C
InChIInChI=1S/C14H29NO/c1-4-5-11-16-12-7-10-15-13-8-6-9-14(13,2)3/h13,15H,4-12H2,1-3H3
InChIKeyUHZJQHSUBFQDMF-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
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-butoxyethyl)-2,2-dimethylcyclohexan-1-amine
CID 79836611
3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol
CID 79865194
2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79828821
N-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115572582
2,2-dimethyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
CID 79834768
N-ethyl-2,2-dimethylcyclopentan-1-amine;hydrochloride
CID 154577104
N-(3-butoxypropyl)cyclopropanamine
CID 62450977
N-(3-butoxypropyl)spiro[4.5]decan-8-amine
CID 114817917
N-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-1,3-diamine
CID 79828517
N-(2,2-dimethylcyclohexyl)-N',N'-dimethylpropane-1,3-diamine
CID 79828762
2,2-dimethyl-N-(3-phenylpropyl)cyclopentan-1-amine
CID 79864655
N-(cyclooctylmethyl)-2,2-dimethylcyclopentan-1-amine
CID 114207760

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-(3-butoxypropyl)-2,2-dimethylcyclopentan-1-amine (CID 115704494) is N-(3-butoxypropyl)-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-(3-butoxypropyl)-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-(3-butoxypropyl)-2,2-dimethylcyclopentan-1-amine is CCCCOCCCNC1CCCC1(C)C.
What is the InChIKey of N-(3-butoxypropyl)-2,2-dimethylcyclopentan-1-amine?
The InChIKey is UHZJQHSUBFQDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-5-11-16-12-7-10-15-13-8-6-9-14(13,2)3/h13,15H,4-12H2,1-3H3.
What are the key properties of N-(3-butoxypropyl)-2,2-dimethylcyclopentan-1-amine?
N-(3-butoxypropyl)-2,2-dimethylcyclopentan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 115704494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).