N,N-dipropyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine

C16H27N — CID 57305707

IUPACN,N-dipropyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine
SMILESCCCN(CCC)C1CCC2=CCCC=C2C1
InChIInChI=1S/C16H27N/c1-3-11-17(12-4-2)16-10-9-14-7-5-6-8-15(14)13-16/h7-8,16H,3-6,9-13H2,1-2H3
InChIKeyDPFDVOQXZVZUGB-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.31
Rot. Bonds5

About N,N-dipropyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine

N,N-dipropyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine (PubChem CID 57305707) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N,N-dipropyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine.

Molecular Properties

Compound NameN,N-dipropyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine
PubChem CID57305707
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN,N-dipropyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine
SMILESCCCN(CCC)C1CCC2=CCCC=C2C1
InChIInChI=1S/C16H27N/c1-3-11-17(12-4-2)16-10-9-14-7-5-6-8-15(14)13-16/h7-8,16H,3-6,9-13H2,1-2H3
InChIKeyDPFDVOQXZVZUGB-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[ethyl(propyl)amino]cyclopentan-1-one
CID 79642682
4-tert-butyl-N,N-dipropylcyclohex-3-en-1-amine
CID 164997693
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 6603866
4-methyl-N,N-dipropyl-5,6,7,8-tetrahydroquinolin-7-amine
CID 14835953
N,N-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine;dihydrochloride
CID 13036534
6-chloro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 91826447
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide
CID 51371143
3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-one
CID 79644095
(6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
CID 18650733
(4aR,7R)-7-(dipropylamino)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
CID 129391048
7-N-ethyl-2-N,2-N-dipropyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
CID 14798947
3-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanenitrile
CID 47540982

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine?
The IUPAC name of N,N-dipropyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine (CID 57305707) is N,N-dipropyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine.
What is the SMILES notation for N,N-dipropyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine?
The canonical SMILES for N,N-dipropyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine is CCCN(CCC)C1CCC2=CCCC=C2C1.
What is the InChIKey of N,N-dipropyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine?
The InChIKey is DPFDVOQXZVZUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-3-11-17(12-4-2)16-10-9-14-7-5-6-8-15(14)13-16/h7-8,16H,3-6,9-13H2,1-2H3.
What are the key properties of N,N-dipropyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine?
N,N-dipropyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine has a molecular weight of 233.40 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine is sourced from PubChem (CID 57305707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).