2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

C11H21N5 — CID 19369316

IUPAC2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESNC1=NC(CCNC2=NCCN2)CCCC1
InChIInChI=1S/C11H21N5/c12-10-4-2-1-3-9(16-10)5-6-13-11-14-7-8-15-11/h9H,1-8H2,(H2,12,16)(H2,13,14,15)
InChIKeyLQQBVIACJWDYJI-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.23
Rot. Bonds3

About 2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 19369316) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound Name2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID19369316
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESNC1=NC(CCNC2=NCCN2)CCCC1
InChIInChI=1S/C11H21N5/c12-10-4-2-1-3-9(16-10)5-6-13-11-14-7-8-15-11/h9H,1-8H2,(H2,12,16)(H2,13,14,15)
InChIKeyLQQBVIACJWDYJI-UHFFFAOYSA-N
XLogP0.23
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine with MolForge

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Related Compounds

2-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 19369259
N-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114401742
N-cycloheptyl-N'-(4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine
CID 114401778
N-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601297
N-(4-cyclopentylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111465883
2-[2-(pyridin-2-ylmethylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 19369348
N-(2-piperidin-1-ylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 112688186
N-(4,5-dihydro-1H-imidazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 114401726
N-[2-(4-methoxycyclohexyl)ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 125422318
2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclohexan-1-ol
CID 115645077
N-[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]-1-phenylmethanesulfinamide
CID 54039887
N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride
CID 139950285

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of 2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 19369316) is 2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for 2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for 2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine is NC1=NC(CCNC2=NCCN2)CCCC1.
What is the InChIKey of 2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is LQQBVIACJWDYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c12-10-4-2-1-3-9(16-10)5-6-13-11-14-7-8-15-11/h9H,1-8H2,(H2,12,16)(H2,13,14,15).
What are the key properties of 2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 223.32 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 19369316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).