N-[2-(cyclopropylmethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C16H29NO — CID 103782787

IUPACN-[2-(cyclopropylmethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC1CCC2CC(NCCOCC3CC3)CCC2C1
InChIInChI=1S/C16H29NO/c1-2-4-15-11-16(8-7-14(15)3-1)17-9-10-18-12-13-5-6-13/h13-17H,1-12H2
InChIKeyJCQJOGOWJRSLOW-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.36
Rot. Bonds6

About N-[2-(cyclopropylmethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-[2-(cyclopropylmethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 103782787) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID103782787
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC1CCC2CC(NCCOCC3CC3)CCC2C1
InChIInChI=1S/C16H29NO/c1-2-4-15-11-16(8-7-14(15)3-1)17-9-10-18-12-13-5-6-13/h13-17H,1-12H2
InChIKeyJCQJOGOWJRSLOW-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
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-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 60733272
N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 103082744
N-(oxolan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 14675476
N-(2-methoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 14675486
N-(3-morpholin-4-ylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43222685
N-(2-morpholin-4-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43222860
N-(3-ethoxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43223018
N-(1-methoxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43223104
N-[3-(2-methylpropoxy)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43225991
N-[3-(cyclopropylmethoxy)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43226027
N-(2-ethoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43778403
N-(oxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 54943329

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 103782787) is N-[2-(cyclopropylmethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is C1CCC2CC(NCCOCC3CC3)CCC2C1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is JCQJOGOWJRSLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-4-15-11-16(8-7-14(15)3-1)17-9-10-18-12-13-5-6-13/h13-17H,1-12H2.
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-[2-(cyclopropylmethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 251.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 103782787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).