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

C17H31NO — CID 43226027

IUPACN-[3-(cyclopropylmethoxy)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC(CNC1CCC2CCCCC2C1)COCC1CC1
InChIInChI=1S/C17H31NO/c1-2-5-16-12-17(9-8-15(16)4-1)18-10-3-11-19-13-14-6-7-14/h14-18H,1-13H2
InChIKeyHELAOXCPUIZMJP-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.75
Rot. Bonds7

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

N-[3-(cyclopropylmethoxy)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43226027) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43226027
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC(CNC1CCC2CCCCC2C1)COCC1CC1
InChIInChI=1S/C17H31NO/c1-2-5-16-12-17(9-8-15(16)4-1)18-10-3-11-19-13-14-6-7-14/h14-18H,1-13H2
InChIKeyHELAOXCPUIZMJP-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.75
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43226027) is N-[3-(cyclopropylmethoxy)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is C(CNC1CCC2CCCCC2C1)COCC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is HELAOXCPUIZMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-2-5-16-12-17(9-8-15(16)4-1)18-10-3-11-19-13-14-6-7-14/h14-18H,1-13H2.
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-[3-(cyclopropylmethoxy)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 265.44 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-[3-(cyclopropylmethoxy)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43226027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).