N-pentylpentan-1-amine;styrene

C18H31N — CID 69462371

IUPACN-pentylpentan-1-amine;styrene
SMILESC=Cc1ccccc1.CCCCCNCCCCC
InChIInChI=1S/C10H23N.C8H8/c1-3-5-7-9-11-10-8-6-4-2;1-2-8-6-4-3-5-7-8/h11H,3-10H2,1-2H3;2-7H,1H2
InChIKeyLAEPACQZIPXZQZ-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.29
Rot. Bonds9

About N-pentylpentan-1-amine;styrene

N-pentylpentan-1-amine;styrene (PubChem CID 69462371) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-pentylpentan-1-amine;styrene.

Molecular Properties

Compound NameN-pentylpentan-1-amine;styrene
PubChem CID69462371
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-pentylpentan-1-amine;styrene
SMILESC=Cc1ccccc1.CCCCCNCCCCC
InChIInChI=1S/C10H23N.C8H8/c1-3-5-7-9-11-10-8-6-4-2;1-2-8-6-4-3-5-7-8/h11H,3-10H2,1-2H3;2-7H,1H2
InChIKeyLAEPACQZIPXZQZ-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzaldehyde;N-hexylhexan-1-amine
CID 87442359
hept-1-ene;styrene
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1-pentoxypentane;styrene
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N-dodecyl-2-methylprop-2-enamide;styrene
CID 174861897
methylsulfanylmethane;pentane-1-thiol;styrene
CID 145163199
butane;2,2-dimethylpropane;ethane;pentane;propane;styrene
CID 158403421
lithium;benzene;butane;styrene
CID 174564068
benzene;ethane;styrene
CID 21219610
N-(2-phenylethyl)undecan-1-amine
CID 141108004
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
N-(3-phenylpropyl)undecan-1-amine
CID 10469447

Frequently Asked Questions

What is the IUPAC name of N-pentylpentan-1-amine;styrene?
The IUPAC name of N-pentylpentan-1-amine;styrene (CID 69462371) is N-pentylpentan-1-amine;styrene.
What is the SMILES notation for N-pentylpentan-1-amine;styrene?
The canonical SMILES for N-pentylpentan-1-amine;styrene is C=Cc1ccccc1.CCCCCNCCCCC.
What is the InChIKey of N-pentylpentan-1-amine;styrene?
The InChIKey is LAEPACQZIPXZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C8H8/c1-3-5-7-9-11-10-8-6-4-2;1-2-8-6-4-3-5-7-8/h11H,3-10H2,1-2H3;2-7H,1H2.
What are the key properties of N-pentylpentan-1-amine;styrene?
N-pentylpentan-1-amine;styrene has a molecular weight of 261.45 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylpentan-1-amine;styrene is sourced from PubChem (CID 69462371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).