N-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C16H27N — CID 113348886

IUPACN-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC#CCCCCNC1CCC2CCCCC2C1
InChIInChI=1S/C16H27N/c1-2-3-4-7-12-17-16-11-10-14-8-5-6-9-15(14)13-16/h1,14-17H,3-13H2
InChIKeyBTUZGUOQLSNHEY-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.74
Rot. Bonds5

About N-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 113348886) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID113348886
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC#CCCCCNC1CCC2CCCCC2C1
InChIInChI=1S/C16H27N/c1-2-3-4-7-12-17-16-11-10-14-8-5-6-9-15(14)13-16/h1,14-17H,3-13H2
InChIKeyBTUZGUOQLSNHEY-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(hex-5-ynylamino)cyclohexan-1-ol
CID 106209793
3-cyclopropyl-N-pentylcyclohexan-1-amine
CID 64596400
4-(hept-6-ynylamino)cyclohexan-1-ol
CID 168832781
4-ethyl-N-hex-5-ynylcyclohexan-1-amine
CID 115694178
5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol
CID 107270410
1-N-pent-4-ynylcyclohexane-1,3-diamine
CID 106220280
N-(2-methylsulfanylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 60663658
N-hex-5-ynyl-4-phenylcyclohexan-1-amine
CID 103903638
(2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 167179387
N-hex-5-ynyl-3-methoxycyclobutan-1-amine
CID 104871898
N-(2-butoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 61170865
N-hex-5-ynyl-1-methylazepan-4-amine
CID 103903669

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 113348886) is N-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is C#CCCCCNC1CCC2CCCCC2C1.
What is the InChIKey of N-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is BTUZGUOQLSNHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-2-3-4-7-12-17-16-11-10-14-8-5-6-9-15(14)13-16/h1,14-17H,3-13H2.
What are the key properties of N-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 233.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 113348886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).