N-(3-phenylbutyl)spiro[3.5]nonan-3-amine

C19H29N — CID 102951873

IUPACN-(3-phenylbutyl)spiro[3.5]nonan-3-amine
SMILESCC(CCNC1CCC12CCCCC2)c1ccccc1
InChIInChI=1S/C19H29N/c1-16(17-8-4-2-5-9-17)11-15-20-18-10-14-19(18)12-6-3-7-13-19/h2,4-5,8-9,16,18,20H,3,6-7,10-15H2,1H3
InChIKeyDESCUSBYGJSHSI-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.88
Rot. Bonds5

About N-(3-phenylbutyl)spiro[3.5]nonan-3-amine

N-(3-phenylbutyl)spiro[3.5]nonan-3-amine (PubChem CID 102951873) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-(3-phenylbutyl)spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-(3-phenylbutyl)spiro[3.5]nonan-3-amine
PubChem CID102951873
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-(3-phenylbutyl)spiro[3.5]nonan-3-amine
SMILESCC(CCNC1CCC12CCCCC2)c1ccccc1
InChIInChI=1S/C19H29N/c1-16(17-8-4-2-5-9-17)11-15-20-18-10-14-19(18)12-6-3-7-13-19/h2,4-5,8-9,16,18,20H,3,6-7,10-15H2,1H3
InChIKeyDESCUSBYGJSHSI-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine
CID 79351956
N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine
CID 81384381
N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63463227
2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine
CID 113483440
1,1-dioxo-N-(3-phenylbutyl)thian-3-amine
CID 63922445
N'-methyl-N'-propan-2-yl-N-spiro[3.5]nonan-3-ylethane-1,2-diamine
CID 102951849
N-(3-phenylbutyl)thian-3-amine
CID 62988894
1-(3-phenylbutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62987535
2-methyl-N-(3-phenylbutyl)thian-3-amine
CID 79956785
1-N-(3-phenylbutyl)cyclobutane-1,3-diamine
CID 80562292
2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid
CID 103250718
N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine
CID 113474995

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylbutyl)spiro[3.5]nonan-3-amine?
The IUPAC name of N-(3-phenylbutyl)spiro[3.5]nonan-3-amine (CID 102951873) is N-(3-phenylbutyl)spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-(3-phenylbutyl)spiro[3.5]nonan-3-amine?
The canonical SMILES for N-(3-phenylbutyl)spiro[3.5]nonan-3-amine is CC(CCNC1CCC12CCCCC2)c1ccccc1.
What is the InChIKey of N-(3-phenylbutyl)spiro[3.5]nonan-3-amine?
The InChIKey is DESCUSBYGJSHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-16(17-8-4-2-5-9-17)11-15-20-18-10-14-19(18)12-6-3-7-13-19/h2,4-5,8-9,16,18,20H,3,6-7,10-15H2,1H3.
What are the key properties of N-(3-phenylbutyl)spiro[3.5]nonan-3-amine?
N-(3-phenylbutyl)spiro[3.5]nonan-3-amine has a molecular weight of 271.45 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylbutyl)spiro[3.5]nonan-3-amine is sourced from PubChem (CID 102951873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).