4-(3-aminopropyl)-4-propan-2-ylheptane-1,7-diamine

C13H31N3 — CID 59061259

IUPAC4-(3-aminopropyl)-4-propan-2-ylheptane-1,7-diamine
SMILESCC(C)C(CCCN)(CCCN)CCCN
InChIInChI=1S/C13H31N3/c1-12(2)13(6-3-9-14,7-4-10-15)8-5-11-16/h12H,3-11,14-16H2,1-2H3
InChIKeyLNYIALKITIRTJT-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.85
Rot. Bonds10

About 4-(3-aminopropyl)-4-propan-2-ylheptane-1,7-diamine

4-(3-aminopropyl)-4-propan-2-ylheptane-1,7-diamine (PubChem CID 59061259) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is 4-(3-aminopropyl)-4-propan-2-ylheptane-1,7-diamine.

Molecular Properties

Compound Name4-(3-aminopropyl)-4-propan-2-ylheptane-1,7-diamine
PubChem CID59061259
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Name4-(3-aminopropyl)-4-propan-2-ylheptane-1,7-diamine
SMILESCC(C)C(CCCN)(CCCN)CCCN
InChIInChI=1S/C13H31N3/c1-12(2)13(6-3-9-14,7-4-10-15)8-5-11-16/h12H,3-11,14-16H2,1-2H3
InChIKeyLNYIALKITIRTJT-UHFFFAOYSA-N
XLogP1.85
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2,2-di(propan-2-yl)pentan-1-ol
CID 123642995
CID 22016397
CID 22016397
azane;4,4-bis(3-aminopropyl)-5-ethyloctane-1,8-diamine
CID 87669498
(2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol
CID 174859457
4,4-dimethylpentan-1-amine
CID 14454757
propane-1,3-diamine;bis(propan-2-ol)
CID 87899449
dodecan-1-amine;2,2,3-trimethylbutane
CID 143310414
3,3-diethyl-2-methyldodecane
CID 151072312
2-(methoxymethyl)-2-propan-2-yldecan-1-amine
CID 139968822
5-ethyl-5-propan-2-yltetradecane
CID 123207557
2-decyl-2-propan-2-ylpropane-1,3-diol
CID 79450466
9-amino-2,6-dimethylnonan-2-ol
CID 55254540

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-4-propan-2-ylheptane-1,7-diamine?
The IUPAC name of 4-(3-aminopropyl)-4-propan-2-ylheptane-1,7-diamine (CID 59061259) is 4-(3-aminopropyl)-4-propan-2-ylheptane-1,7-diamine.
What is the SMILES notation for 4-(3-aminopropyl)-4-propan-2-ylheptane-1,7-diamine?
The canonical SMILES for 4-(3-aminopropyl)-4-propan-2-ylheptane-1,7-diamine is CC(C)C(CCCN)(CCCN)CCCN.
What is the InChIKey of 4-(3-aminopropyl)-4-propan-2-ylheptane-1,7-diamine?
The InChIKey is LNYIALKITIRTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-12(2)13(6-3-9-14,7-4-10-15)8-5-11-16/h12H,3-11,14-16H2,1-2H3.
What are the key properties of 4-(3-aminopropyl)-4-propan-2-ylheptane-1,7-diamine?
4-(3-aminopropyl)-4-propan-2-ylheptane-1,7-diamine has a molecular weight of 229.41 g/mol, XLogP of 1.85, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-4-propan-2-ylheptane-1,7-diamine is sourced from PubChem (CID 59061259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).