N'-[4-(2-pentylhydrazinyl)butyl]propane-1,3-diamine

C12H30N4 — CID 175374912

IUPACN'-[4-(2-pentylhydrazinyl)butyl]propane-1,3-diamine
SMILESCCCCCNNCCCCNCCCN
InChIInChI=1S/C12H30N4/c1-2-3-4-11-15-16-12-6-5-9-14-10-7-8-13/h14-16H,2-13H2,1H3
InChIKeyHJECTOCGWHBLRW-UHFFFAOYSA-N
MW230.40 g/mol
LogP0.99
Rot. Bonds13

About N'-[4-(2-pentylhydrazinyl)butyl]propane-1,3-diamine

N'-[4-(2-pentylhydrazinyl)butyl]propane-1,3-diamine (PubChem CID 175374912) has the molecular formula C12H30N4 and a molecular weight of 230.40 g/mol. Its IUPAC name is N'-[4-(2-pentylhydrazinyl)butyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-(2-pentylhydrazinyl)butyl]propane-1,3-diamine
PubChem CID175374912
Molecular FormulaC12H30N4
Molecular Weight230.40 g/mol
Exact Mass230.25
IUPAC NameN'-[4-(2-pentylhydrazinyl)butyl]propane-1,3-diamine
SMILESCCCCCNNCCCCNCCCN
InChIInChI=1S/C12H30N4/c1-2-3-4-11-15-16-12-6-5-9-14-10-7-8-13/h14-16H,2-13H2,1H3
InChIKeyHJECTOCGWHBLRW-UHFFFAOYSA-N
XLogP0.99
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-nonylpropane-1,3-diamine;hydrochloride
CID 170875320
N'-octadecylpropane-1,3-diamine;dihydrofluoride
CID 174890769
N'-dodecylheptane-1,7-diamine
CID 122537296
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
N'-pentyltridecane-1,13-diamine
CID 174397381
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
ethane;N'-pentylbutane-1,4-diamine
CID 171066485
N'-tetradecylbutane-1,4-diamine;hydrochloride
CID 73211859
N'-docosylethane-1,2-diamine
CID 18783196
N-hexylhexan-1-amine;propan-1-amine
CID 87675299
N'-henicosylethane-1,2-diamine
CID 22930907
N'-[2-(hexatriacontylamino)ethyl]ethane-1,2-diamine
CID 88704371

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-pentylhydrazinyl)butyl]propane-1,3-diamine?
The IUPAC name of N'-[4-(2-pentylhydrazinyl)butyl]propane-1,3-diamine (CID 175374912) is N'-[4-(2-pentylhydrazinyl)butyl]propane-1,3-diamine.
What is the SMILES notation for N'-[4-(2-pentylhydrazinyl)butyl]propane-1,3-diamine?
The canonical SMILES for N'-[4-(2-pentylhydrazinyl)butyl]propane-1,3-diamine is CCCCCNNCCCCNCCCN.
What is the InChIKey of N'-[4-(2-pentylhydrazinyl)butyl]propane-1,3-diamine?
The InChIKey is HJECTOCGWHBLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4/c1-2-3-4-11-15-16-12-6-5-9-14-10-7-8-13/h14-16H,2-13H2,1H3.
What are the key properties of N'-[4-(2-pentylhydrazinyl)butyl]propane-1,3-diamine?
N'-[4-(2-pentylhydrazinyl)butyl]propane-1,3-diamine has a molecular weight of 230.40 g/mol, XLogP of 0.99, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-pentylhydrazinyl)butyl]propane-1,3-diamine is sourced from PubChem (CID 175374912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).