N'-propan-2-yloctane-1,8-diamine

C11H26N2 — CID 138605826

IUPACN'-propan-2-yloctane-1,8-diamine
SMILESCC(C)NCCCCCCCCN
InChIInChI=1S/C11H26N2/c1-11(2)13-10-8-6-4-3-5-7-9-12/h11,13H,3-10,12H2,1-2H3
InChIKeyOIKYZYRLEVOMIA-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.28
Rot. Bonds9

About N'-propan-2-yloctane-1,8-diamine

N'-propan-2-yloctane-1,8-diamine (PubChem CID 138605826) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N'-propan-2-yloctane-1,8-diamine.

Molecular Properties

Compound NameN'-propan-2-yloctane-1,8-diamine
PubChem CID138605826
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN'-propan-2-yloctane-1,8-diamine
SMILESCC(C)NCCCCCCCCN
InChIInChI=1S/C11H26N2/c1-11(2)13-10-8-6-4-3-5-7-9-12/h11,13H,3-10,12H2,1-2H3
InChIKeyOIKYZYRLEVOMIA-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.28
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'-(2-aminoethyl)-N-[5-(propan-2-ylamino)pentyl]pentane-1,5-diamine;N'-[5-[5-(propan-2-ylamino)pentylamino]pentyl]pentane-1,5-diamine;N'-[5-(propan-2-ylamino)pentyl]pentane-1,5-diamine;N'-[3-(propan-2-ylamino)propyl]butane-1,4-diamine;N'-[3-(propan-2-ylamino)propyl]octane-1,8-diamine
CID 158904101
CID 158321019
CID 158321019
8-hydrazinyl-N-propan-2-yloctan-1-amine
CID 167072309
N'-(1-aminoethyl)butane-1,4-diamine
CID 21119792
N-propan-2-ylicosan-1-amine
CID 87246132
N'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 87748300
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
2-amino-N-[8-(propan-2-ylamino)octyl]acetamide
CID 154670935
N'-dodecan-2-ylpentane-1,5-diamine
CID 175187271
molecular hydrogen;N-propan-2-ylnonan-1-amine
CID 166461486
fluoromethane;N-propan-2-ylhexan-1-amine
CID 171626710
4-(propan-2-ylamino)butan-1-ol
CID 12950986

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yloctane-1,8-diamine?
The IUPAC name of N'-propan-2-yloctane-1,8-diamine (CID 138605826) is N'-propan-2-yloctane-1,8-diamine.
What is the SMILES notation for N'-propan-2-yloctane-1,8-diamine?
The canonical SMILES for N'-propan-2-yloctane-1,8-diamine is CC(C)NCCCCCCCCN.
What is the InChIKey of N'-propan-2-yloctane-1,8-diamine?
The InChIKey is OIKYZYRLEVOMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-11(2)13-10-8-6-4-3-5-7-9-12/h11,13H,3-10,12H2,1-2H3.
What are the key properties of N'-propan-2-yloctane-1,8-diamine?
N'-propan-2-yloctane-1,8-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yloctane-1,8-diamine is sourced from PubChem (CID 138605826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).