N-butylbutan-1-amine;1,1-diaminourea

C9H25N5O — CID 174864896

IUPACN-butylbutan-1-amine;1,1-diaminourea
SMILESCCCCNCCCC.NC(=O)N(N)N
InChIInChI=1S/C8H19N.CH6N4O/c1-3-5-7-9-8-6-4-2;2-1(6)5(3)4/h9H,3-8H2,1-2H3;3-4H2,(H2,2,6)
InChIKeyFSBMVMTVFKYVKV-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.29
Rot. Bonds6

About N-butylbutan-1-amine;1,1-diaminourea

N-butylbutan-1-amine;1,1-diaminourea (PubChem CID 174864896) has the molecular formula C9H25N5O and a molecular weight of 219.33 g/mol. Its IUPAC name is N-butylbutan-1-amine;1,1-diaminourea.

Molecular Properties

Compound NameN-butylbutan-1-amine;1,1-diaminourea
PubChem CID174864896
Molecular FormulaC9H25N5O
Molecular Weight219.33 g/mol
Exact Mass219.21
IUPAC NameN-butylbutan-1-amine;1,1-diaminourea
SMILESCCCCNCCCC.NC(=O)N(N)N
InChIInChI=1S/C8H19N.CH6N4O/c1-3-5-7-9-8-6-4-2;2-1(6)5(3)4/h9H,3-8H2,1-2H3;3-4H2,(H2,2,6)
InChIKeyFSBMVMTVFKYVKV-UHFFFAOYSA-N
XLogP0.29
TPSA110.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

acetamide;N-butylbutan-1-amine
CID 172792447
butan-2-one;N-butylbutan-1-amine
CID 161180085
4-[4-(tetradecylamino)butylamino]butanamide
CID 175024979
6-(decylamino)hexanamide
CID 13292350
12-(hexylamino)dodecanamide
CID 174861179
N-butylbutan-1-amine;hydrochloride
CID 3083954
1-amino-1-[3-[3-[amino(carbamoyl)amino]propylamino]propyl]urea
CID 174815065
4-(propylamino)butanamide
CID 21468794
3-(butylamino)propyl acetate
CID 82532357
N-butylbutan-1-amine;propan-1-ol
CID 174657089
carbonic acid;N-hexylhexan-1-amine
CID 174995198
potassium;N-butylbutan-1-amine;hydride
CID 174461538

Frequently Asked Questions

What is the IUPAC name of N-butylbutan-1-amine;1,1-diaminourea?
The IUPAC name of N-butylbutan-1-amine;1,1-diaminourea (CID 174864896) is N-butylbutan-1-amine;1,1-diaminourea.
What is the SMILES notation for N-butylbutan-1-amine;1,1-diaminourea?
The canonical SMILES for N-butylbutan-1-amine;1,1-diaminourea is CCCCNCCCC.NC(=O)N(N)N.
What is the InChIKey of N-butylbutan-1-amine;1,1-diaminourea?
The InChIKey is FSBMVMTVFKYVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.CH6N4O/c1-3-5-7-9-8-6-4-2;2-1(6)5(3)4/h9H,3-8H2,1-2H3;3-4H2,(H2,2,6).
What are the key properties of N-butylbutan-1-amine;1,1-diaminourea?
N-butylbutan-1-amine;1,1-diaminourea has a molecular weight of 219.33 g/mol, XLogP of 0.29, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylbutan-1-amine;1,1-diaminourea is sourced from PubChem (CID 174864896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).