N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylbutane-1,4-diamine

C12H24N2 — CID 64522169

IUPACN'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylbutane-1,4-diamine
SMILESCNCCCCN(CC1CC1)C1CC1
InChIInChI=1S/C12H24N2/c1-13-8-2-3-9-14(12-6-7-12)10-11-4-5-11/h11-13H,2-10H2,1H3
InChIKeyWZQRTCGHKOLEBX-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds8

About N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylbutane-1,4-diamine

N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylbutane-1,4-diamine (PubChem CID 64522169) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylbutane-1,4-diamine
PubChem CID64522169
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylbutane-1,4-diamine
SMILESCNCCCCN(CC1CC1)C1CC1
InChIInChI=1S/C12H24N2/c1-13-8-2-3-9-14(12-6-7-12)10-11-4-5-11/h11-13H,2-10H2,1H3
InChIKeyWZQRTCGHKOLEBX-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylbutane-1,4-diamine?
The IUPAC name of N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylbutane-1,4-diamine (CID 64522169) is N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylbutane-1,4-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylbutane-1,4-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylbutane-1,4-diamine is CNCCCCN(CC1CC1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylbutane-1,4-diamine?
The InChIKey is WZQRTCGHKOLEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-13-8-2-3-9-14(12-6-7-12)10-11-4-5-11/h11-13H,2-10H2,1H3.
What are the key properties of N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylbutane-1,4-diamine?
N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylbutane-1,4-diamine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylbutane-1,4-diamine is sourced from PubChem (CID 64522169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).