N'-heptyl-N'-pentan-3-ylethane-1,2-diamine

C14H32N2 — CID 63760495

IUPACN'-heptyl-N'-pentan-3-ylethane-1,2-diamine
SMILESCCCCCCCN(CCN)C(CC)CC
InChIInChI=1S/C14H32N2/c1-4-7-8-9-10-12-16(13-11-15)14(5-2)6-3/h14H,4-13,15H2,1-3H3
InChIKeyLOOHZJHNPBFWMK-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.41
Rot. Bonds11

About N'-heptyl-N'-pentan-3-ylethane-1,2-diamine

N'-heptyl-N'-pentan-3-ylethane-1,2-diamine (PubChem CID 63760495) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N'-heptyl-N'-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-heptyl-N'-pentan-3-ylethane-1,2-diamine
PubChem CID63760495
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN'-heptyl-N'-pentan-3-ylethane-1,2-diamine
SMILESCCCCCCCN(CCN)C(CC)CC
InChIInChI=1S/C14H32N2/c1-4-7-8-9-10-12-16(13-11-15)14(5-2)6-3/h14H,4-13,15H2,1-3H3
InChIKeyLOOHZJHNPBFWMK-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-pentan-3-ylheptan-1-amine
CID 55184405
N'-(3-aminopropyl)-N'-tetratriacontan-16-ylpropane-1,3-diamine
CID 88511358
N'-(2-aminoethyl)-N'-hexylethane-1,2-diamine
CID 62923108
1-[di(nonadecyl)amino]propan-1-ol
CID 87359207
sodium 3-(didecylamino)pentanoate
CID 101314087
potassium 3-[di(icosyl)amino]pentanoate
CID 101314286
sodium 3-[di(heptadecyl)amino]pentanoate
CID 101314227
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
1-N,1-N'-bis(3-aminopropyl)-1-N'-dodecylpropane-1,1-diamine
CID 141297080
1-N,1-N'-bis(3-aminopropyl)-1-N'-octylpropane-1,1-diamine
CID 141457233
1-(dioctadecylamino)propan-1-ol;hydrochloride
CID 173142418
(6R)-6-methyl-N-pentyl-N-propyloctan-3-amine
CID 172617141

Frequently Asked Questions

What is the IUPAC name of N'-heptyl-N'-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N'-heptyl-N'-pentan-3-ylethane-1,2-diamine (CID 63760495) is N'-heptyl-N'-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-heptyl-N'-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N'-heptyl-N'-pentan-3-ylethane-1,2-diamine is CCCCCCCN(CCN)C(CC)CC.
What is the InChIKey of N'-heptyl-N'-pentan-3-ylethane-1,2-diamine?
The InChIKey is LOOHZJHNPBFWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-4-7-8-9-10-12-16(13-11-15)14(5-2)6-3/h14H,4-13,15H2,1-3H3.
What are the key properties of N'-heptyl-N'-pentan-3-ylethane-1,2-diamine?
N'-heptyl-N'-pentan-3-ylethane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.41, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-heptyl-N'-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 63760495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).