N'-cyclopentyl-N,N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

C14H26N4 — CID 50974480

IUPACN'-cyclopentyl-N,N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1[nH]cnc1CN(C)CCN(C)C1CCCC1
InChIInChI=1S/C14H26N4/c1-12-14(16-11-15-12)10-17(2)8-9-18(3)13-6-4-5-7-13/h11,13H,4-10H2,1-3H3,(H,15,16)
InChIKeyFIDMZUIWFFTHFL-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.02
Rot. Bonds6

About N'-cyclopentyl-N,N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

N'-cyclopentyl-N,N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 50974480) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-cyclopentyl-N,N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N,N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID50974480
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN'-cyclopentyl-N,N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1[nH]cnc1CN(C)CCN(C)C1CCCC1
InChIInChI=1S/C14H26N4/c1-12-14(16-11-15-12)10-17(2)8-9-18(3)13-6-4-5-7-13/h11,13H,4-10H2,1-3H3,(H,15,16)
InChIKeyFIDMZUIWFFTHFL-UHFFFAOYSA-N
XLogP2.02
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N,N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N,N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine (CID 50974480) is N'-cyclopentyl-N,N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N,N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N,N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine is Cc1[nH]cnc1CN(C)CCN(C)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N,N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is FIDMZUIWFFTHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12-14(16-11-15-12)10-17(2)8-9-18(3)13-6-4-5-7-13/h11,13H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N'-cyclopentyl-N,N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
N'-cyclopentyl-N,N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N,N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 50974480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).