2-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]guanidine;dihydrochloride

C14H24Cl2N4 — CID 19036733

IUPAC2-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]guanidine;dihydrochloride
SMILESCl.Cl.NC(N)=NCCCCNC1CCc2ccccc21
InChIInChI=1S/C14H22N4.2ClH/c15-14(16)18-10-4-3-9-17-13-8-7-11-5-1-2-6-12(11)13;;/h1-2,5-6,13,17H,3-4,7-10H2,(H4,15,16,18);2*1H
InChIKeyFVMBQMUKROQABF-UHFFFAOYSA-N
MW319.28 g/mol
LogP2.16
Rot. Bonds6

About 2-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]guanidine;dihydrochloride

2-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]guanidine;dihydrochloride (PubChem CID 19036733) has the molecular formula C14H24Cl2N4 and a molecular weight of 319.28 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]guanidine;dihydrochloride.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]guanidine;dihydrochloride
PubChem CID19036733
Molecular FormulaC14H24Cl2N4
Molecular Weight319.28 g/mol
Exact Mass318.14
IUPAC Name2-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]guanidine;dihydrochloride
SMILESCl.Cl.NC(N)=NCCCCNC1CCc2ccccc21
InChIInChI=1S/C14H22N4.2ClH/c15-14(16)18-10-4-3-9-17-13-8-7-11-5-1-2-6-12(11)13;;/h1-2,5-6,13,17H,3-4,7-10H2,(H4,15,16,18);2*1H
InChIKeyFVMBQMUKROQABF-UHFFFAOYSA-N
XLogP2.16
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine
CID 115724846
N-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride
CID 19773300
N'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide
CID 77028408
3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
CID 43088449
6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol
CID 103922340
N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 115704394
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride
CID 22976313
N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 63656053
N-[2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]acetamide
CID 43206104
1-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butyl]pyridin-2-one
CID 99577336
1-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]pyridin-2-one
CID 102553129
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]guanidine;dihydrochloride?
The IUPAC name of 2-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]guanidine;dihydrochloride (CID 19036733) is 2-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]guanidine;dihydrochloride.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]guanidine;dihydrochloride?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]guanidine;dihydrochloride is Cl.Cl.NC(N)=NCCCCNC1CCc2ccccc21.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]guanidine;dihydrochloride?
The InChIKey is FVMBQMUKROQABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4.2ClH/c15-14(16)18-10-4-3-9-17-13-8-7-11-5-1-2-6-12(11)13;;/h1-2,5-6,13,17H,3-4,7-10H2,(H4,15,16,18);2*1H.
What are the key properties of 2-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]guanidine;dihydrochloride?
2-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]guanidine;dihydrochloride has a molecular weight of 319.28 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]guanidine;dihydrochloride is sourced from PubChem (CID 19036733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).