N'-(5-methylhexan-2-yl)propane-1,3-diamine

C10H24N2 — CID 60889893

IUPACN'-(5-methylhexan-2-yl)propane-1,3-diamine
SMILESCC(C)CCC(C)NCCCN
InChIInChI=1S/C10H24N2/c1-9(2)5-6-10(3)12-8-4-7-11/h9-10,12H,4-8,11H2,1-3H3
InChIKeyUEWYUGRKXRQNOR-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.75
Rot. Bonds7

About N'-(5-methylhexan-2-yl)propane-1,3-diamine

N'-(5-methylhexan-2-yl)propane-1,3-diamine (PubChem CID 60889893) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is N'-(5-methylhexan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-methylhexan-2-yl)propane-1,3-diamine
PubChem CID60889893
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC NameN'-(5-methylhexan-2-yl)propane-1,3-diamine
SMILESCC(C)CCC(C)NCCCN
InChIInChI=1S/C10H24N2/c1-9(2)5-6-10(3)12-8-4-7-11/h9-10,12H,4-8,11H2,1-3H3
InChIKeyUEWYUGRKXRQNOR-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.75
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

6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine
CID 170090972
N-(3-methoxypropyl)-5-methylhexan-2-amine
CID 43205131
5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine
CID 81343293
N'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide
CID 77030340
N'-dodecan-2-ylpentane-1,5-diamine
CID 175187271
N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide
CID 77030148
5-(5-methylhexan-2-ylamino)pentanoic acid
CID 103252184
N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine
CID 43206916
(2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine
CID 38989018
3-(5-methylhexan-2-ylamino)propanamide
CID 43398450
5-methyl-N-(3-phenylpropyl)hexan-2-amine
CID 43082174
N-ethyl-5-methylhexan-2-amine
CID 24689543

Frequently Asked Questions

What is the IUPAC name of N'-(5-methylhexan-2-yl)propane-1,3-diamine?
The IUPAC name of N'-(5-methylhexan-2-yl)propane-1,3-diamine (CID 60889893) is N'-(5-methylhexan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(5-methylhexan-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-(5-methylhexan-2-yl)propane-1,3-diamine is CC(C)CCC(C)NCCCN.
What is the InChIKey of N'-(5-methylhexan-2-yl)propane-1,3-diamine?
The InChIKey is UEWYUGRKXRQNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-9(2)5-6-10(3)12-8-4-7-11/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of N'-(5-methylhexan-2-yl)propane-1,3-diamine?
N'-(5-methylhexan-2-yl)propane-1,3-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methylhexan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 60889893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).