(3R)-N'-(3-aminopropyl)-2,3,6-trimethyloctane-1,8-diamine

C14H33N3 — CID 177154486

IUPAC(3R)-N'-(3-aminopropyl)-2,3,6-trimethyloctane-1,8-diamine
SMILESCC(CCNCCCN)CC[C@@H](C)C(C)CN
InChIInChI=1S/C14H33N3/c1-12(7-10-17-9-4-8-15)5-6-13(2)14(3)11-16/h12-14,17H,4-11,15-16H2,1-3H3/t12?,13-,14?/m1/s1
InChIKeyFQXOAONUEQTZOD-ROKHWSDSSA-N
MW243.44 g/mol
LogP1.96
Rot. Bonds11

About (3R)-N'-(3-aminopropyl)-2,3,6-trimethyloctane-1,8-diamine

(3R)-N'-(3-aminopropyl)-2,3,6-trimethyloctane-1,8-diamine (PubChem CID 177154486) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is (3R)-N'-(3-aminopropyl)-2,3,6-trimethyloctane-1,8-diamine.

Molecular Properties

Compound Name(3R)-N'-(3-aminopropyl)-2,3,6-trimethyloctane-1,8-diamine
PubChem CID177154486
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC Name(3R)-N'-(3-aminopropyl)-2,3,6-trimethyloctane-1,8-diamine
SMILESCC(CCNCCCN)CC[C@@H](C)C(C)CN
InChIInChI=1S/C14H33N3/c1-12(7-10-17-9-4-8-15)5-6-13(2)14(3)11-16/h12-14,17H,4-11,15-16H2,1-3H3/t12?,13-,14?/m1/s1
InChIKeyFQXOAONUEQTZOD-ROKHWSDSSA-N
XLogP1.96
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-aminopropyl)-4-methyloctane-1,8-diamine
CID 23599731
N-[2-(2-aminoethylamino)ethyl]-N',6-bis[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3,9-dimethylundecane-1,11-diamine
CID 138745195
N-(4-aminobutan-2-yl)-N'-(3-aminopropyl)-2-methylbutane-1,4-diamine
CID 142765036
N'-(3,4-dimethylpentyl)ethane-1,2-diamine
CID 156651247
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine
CID 172704929
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
1-N-(4-aminobutyl)pentane-1,4-diamine
CID 91335741
(3S)-2,3-dimethylbutane-1,4-diamine
CID 87997033

Frequently Asked Questions

What is the IUPAC name of (3R)-N'-(3-aminopropyl)-2,3,6-trimethyloctane-1,8-diamine?
The IUPAC name of (3R)-N'-(3-aminopropyl)-2,3,6-trimethyloctane-1,8-diamine (CID 177154486) is (3R)-N'-(3-aminopropyl)-2,3,6-trimethyloctane-1,8-diamine.
What is the SMILES notation for (3R)-N'-(3-aminopropyl)-2,3,6-trimethyloctane-1,8-diamine?
The canonical SMILES for (3R)-N'-(3-aminopropyl)-2,3,6-trimethyloctane-1,8-diamine is CC(CCNCCCN)CC[C@@H](C)C(C)CN.
What is the InChIKey of (3R)-N'-(3-aminopropyl)-2,3,6-trimethyloctane-1,8-diamine?
The InChIKey is FQXOAONUEQTZOD-ROKHWSDSSA-N. The full InChI is InChI=1S/C14H33N3/c1-12(7-10-17-9-4-8-15)5-6-13(2)14(3)11-16/h12-14,17H,4-11,15-16H2,1-3H3/t12?,13-,14?/m1/s1.
What are the key properties of (3R)-N'-(3-aminopropyl)-2,3,6-trimethyloctane-1,8-diamine?
(3R)-N'-(3-aminopropyl)-2,3,6-trimethyloctane-1,8-diamine has a molecular weight of 243.44 g/mol, XLogP of 1.96, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N'-(3-aminopropyl)-2,3,6-trimethyloctane-1,8-diamine is sourced from PubChem (CID 177154486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).