N'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine

C12H26N2 — CID 107001505

IUPACN'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine
SMILESCCCNCCCNCC1CC1(C)C
InChIInChI=1S/C12H26N2/c1-4-6-13-7-5-8-14-10-11-9-12(11,2)3/h11,13-14H,4-10H2,1-3H3
InChIKeySQALLVFHFRHCDJ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.01
Rot. Bonds8

About N'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine

N'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine (PubChem CID 107001505) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine
PubChem CID107001505
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine
SMILESCCCNCCCNCC1CC1(C)C
InChIInChI=1S/C12H26N2/c1-4-6-13-7-5-8-14-10-11-9-12(11,2)3/h11,13-14H,4-10H2,1-3H3
InChIKeySQALLVFHFRHCDJ-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.01
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'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine
CID 107178474
N-[(2,2-dimethylcyclopropyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 107001512
N-[(2-heptyl-2-methylcyclopropyl)methyl]propan-1-amine
CID 63514212
N'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine
CID 107178371
N-[(2,2-dimethylcyclopropyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 107001513
N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine
CID 21145819
N-[(2,2-dichlorocyclopropyl)methyl]butan-1-amine
CID 60669420
N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]propan-1-amine
CID 106824129
N-propylhexadecan-1-amine;hydroiodide
CID 175532385
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
N'-butyl-N-propylethane-1,2-diamine
CID 54806979
N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine
CID 62708007

Frequently Asked Questions

What is the IUPAC name of N'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine?
The IUPAC name of N'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine (CID 107001505) is N'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine is CCCNCCCNCC1CC1(C)C.
What is the InChIKey of N'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine?
The InChIKey is SQALLVFHFRHCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-6-13-7-5-8-14-10-11-9-12(11,2)3/h11,13-14H,4-10H2,1-3H3.
What are the key properties of N'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine?
N'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine is sourced from PubChem (CID 107001505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).