N-(2-butoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C16H31NO — CID 61170865

IUPACN-(2-butoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCCCCOCCNC1CCC2CCCCC2C1
InChIInChI=1S/C16H31NO/c1-2-3-11-18-12-10-17-16-9-8-14-6-4-5-7-15(14)13-16/h14-17H,2-13H2,1H3
InChIKeyNZZYOKULAJVMFP-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds7

About N-(2-butoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-(2-butoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 61170865) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-(2-butoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID61170865
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-(2-butoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCCCCOCCNC1CCC2CCCCC2C1
InChIInChI=1S/C16H31NO/c1-2-3-11-18-12-10-17-16-9-8-14-6-4-5-7-15(14)13-16/h14-17H,2-13H2,1H3
InChIKeyNZZYOKULAJVMFP-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-butoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclopropylmethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 103782787
3-cyclopropyl-N-pentylcyclohexan-1-amine
CID 64596400
N-(2-butoxyethyl)-3-methylcyclohexan-1-amine
CID 61171817
N-(3-butoxypropyl)cyclopropanamine
CID 62450977
(2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 167179387
N-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091022
N-(2-cyclopentyloxyethyl)-3-cyclopropylcyclohexan-1-amine
CID 64624006
N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine
CID 62597448
N-(2-propoxyethyl)cyclohexanamine
CID 62583388
N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine
CID 55195526
5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol
CID 107270410
N-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 113348886

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(2-butoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 61170865) is N-(2-butoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(2-butoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(2-butoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is CCCCOCCNC1CCC2CCCCC2C1.
What is the InChIKey of N-(2-butoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is NZZYOKULAJVMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-3-11-18-12-10-17-16-9-8-14-6-4-5-7-15(14)13-16/h14-17H,2-13H2,1H3.
What are the key properties of N-(2-butoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(2-butoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 61170865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).