N'-pentan-3-yl-N-phenylpropane-1,3-diamine

C14H24N2 — CID 115721316

IUPACN'-pentan-3-yl-N-phenylpropane-1,3-diamine
SMILESCCC(CC)NCCCNc1ccccc1
InChIInChI=1S/C14H24N2/c1-3-13(4-2)15-11-8-12-16-14-9-6-5-7-10-14/h5-7,9-10,13,15-16H,3-4,8,11-12H2,1-2H3
InChIKeyZGUQJFUEXYIHJU-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.27
Rot. Bonds8

About N'-pentan-3-yl-N-phenylpropane-1,3-diamine

N'-pentan-3-yl-N-phenylpropane-1,3-diamine (PubChem CID 115721316) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-pentan-3-yl-N-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-pentan-3-yl-N-phenylpropane-1,3-diamine
PubChem CID115721316
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-pentan-3-yl-N-phenylpropane-1,3-diamine
SMILESCCC(CC)NCCCNc1ccccc1
InChIInChI=1S/C14H24N2/c1-3-13(4-2)15-11-8-12-16-14-9-6-5-7-10-14/h5-7,9-10,13,15-16H,3-4,8,11-12H2,1-2H3
InChIKeyZGUQJFUEXYIHJU-UHFFFAOYSA-N
XLogP3.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
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CID 54509054
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CID 54213846
N-heptylaniline;hydrate
CID 174886464
N-propylaniline
CID 12153
N-(4-butyloctyl)aniline
CID 175196464
1-(3-anilinopropyl)-3-[(2R)-butan-2-yl]urea
CID 95147782
4-N-pentan-3-yl-1-N-[2-[4-(pentan-3-ylamino)anilino]ethyl]benzene-1,4-diamine
CID 126713399
(2R)-2-(3-phenylpropylamino)butan-1-ol
CID 28724554
N-(2,2-dichloroethyl)-N'-phenylpropane-1,3-diamine
CID 70560636
N-[(E)-hept-4-enyl]aniline
CID 101291016
N-(18-methylnonadecyl)aniline;hydrochloride
CID 173012868

Frequently Asked Questions

What is the IUPAC name of N'-pentan-3-yl-N-phenylpropane-1,3-diamine?
The IUPAC name of N'-pentan-3-yl-N-phenylpropane-1,3-diamine (CID 115721316) is N'-pentan-3-yl-N-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-pentan-3-yl-N-phenylpropane-1,3-diamine?
The canonical SMILES for N'-pentan-3-yl-N-phenylpropane-1,3-diamine is CCC(CC)NCCCNc1ccccc1.
What is the InChIKey of N'-pentan-3-yl-N-phenylpropane-1,3-diamine?
The InChIKey is ZGUQJFUEXYIHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-13(4-2)15-11-8-12-16-14-9-6-5-7-10-14/h5-7,9-10,13,15-16H,3-4,8,11-12H2,1-2H3.
What are the key properties of N'-pentan-3-yl-N-phenylpropane-1,3-diamine?
N'-pentan-3-yl-N-phenylpropane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pentan-3-yl-N-phenylpropane-1,3-diamine is sourced from PubChem (CID 115721316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).