N'-cyclopropyl-N-ethylheptane-1,7-diamine

C12H26N2 — CID 66321914

IUPACN'-cyclopropyl-N-ethylheptane-1,7-diamine
SMILESCCNCCCCCCCNC1CC1
InChIInChI=1S/C12H26N2/c1-2-13-10-6-4-3-5-7-11-14-12-8-9-12/h12-14H,2-11H2,1H3
InChIKeyKQRRMTLQUYEZJR-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.30
Rot. Bonds10

About N'-cyclopropyl-N-ethylheptane-1,7-diamine

N'-cyclopropyl-N-ethylheptane-1,7-diamine (PubChem CID 66321914) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-cyclopropyl-N-ethylheptane-1,7-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-ethylheptane-1,7-diamine
PubChem CID66321914
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-cyclopropyl-N-ethylheptane-1,7-diamine
SMILESCCNCCCCCCCNC1CC1
InChIInChI=1S/C12H26N2/c1-2-13-10-6-4-3-5-7-11-14-12-8-9-12/h12-14H,2-11H2,1H3
InChIKeyKQRRMTLQUYEZJR-UHFFFAOYSA-N
XLogP2.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.30
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'-cyclopropyl-N-decylpropane-1,3-diamine
CID 113410376
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
N-butyl-N'-cyclopropylpropane-1,3-diamine
CID 61149641
N,N'-diethylpentane-1,5-diamine
CID 15013244
N'-tert-butyl-N-cyclopropyloctane-1,8-diamine
CID 66338082
N'-cyclopentyl-N-ethylethane-1,2-diamine
CID 61150069
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
4-[2-(ethylamino)ethylamino]cyclohexan-1-ol
CID 90837850
N-[3-[2-(ethylaminomethyl)cyclobutyl]propyl]cyclopropanamine
CID 81005325
4-chloro-N-hexylcyclohexan-1-amine
CID 65024365
4-chloro-N-octylcyclohexan-1-amine
CID 65023952
4-chloro-N-decylcyclohexan-1-amine
CID 65024074

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-ethylheptane-1,7-diamine?
The IUPAC name of N'-cyclopropyl-N-ethylheptane-1,7-diamine (CID 66321914) is N'-cyclopropyl-N-ethylheptane-1,7-diamine.
What is the SMILES notation for N'-cyclopropyl-N-ethylheptane-1,7-diamine?
The canonical SMILES for N'-cyclopropyl-N-ethylheptane-1,7-diamine is CCNCCCCCCCNC1CC1.
What is the InChIKey of N'-cyclopropyl-N-ethylheptane-1,7-diamine?
The InChIKey is KQRRMTLQUYEZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-2-13-10-6-4-3-5-7-11-14-12-8-9-12/h12-14H,2-11H2,1H3.
What are the key properties of N'-cyclopropyl-N-ethylheptane-1,7-diamine?
N'-cyclopropyl-N-ethylheptane-1,7-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.30, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-ethylheptane-1,7-diamine is sourced from PubChem (CID 66321914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).